HEXOCYCLIUM METHYLSULFATE, (R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H33N2O.CH3O4S
Molecular Weight	428.586
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HEXOCYCLIUM METHYLSULFATE, (R)-

Structure Search

SMILES

COS([O-])(=O)=O.C[N+]1(C)CCN(C[C@@](O)(C2CCCCC2)C3=CC=CC=C3)CC1

InChI

InChIKey=NSILVESQCSUIAJ-BDQAORGHSA-M

InChI=1S/C20H33N2O.CH4O4S/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-5-6(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/t20-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	CH3O4S
Molecular Weight	111.097
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C20H33N2O
Molecular Weight	317.4888
Charge	1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:07:09 GMT 2025` Edited by `admin` on `Mon Mar 31 23:07:09 GMT 2025`
Record UNII	28L9W072FO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEXOCYCLIUM METHYLSULFATE, (R)-

Common Name

English

HEXOCYCLIUM METILSULFATE, (R)-

Preferred Name

English

PIPERAZINIUM, 4-(2-CYCLOHEXYL-2-HYDROXY-2-PHENYLETHYL)-1,1-DIMETHYL-, METHYL SULFATE (1:1), (R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

28L9W072FO

Created by admin on Mon Mar 31 23:07:09 GMT 2025 , Edited by admin on Mon Mar 31 23:07:09 GMT 2025

PRIMARY

PUBCHEM

76971635

Created by admin on Mon Mar 31 23:07:09 GMT 2025 , Edited by admin on Mon Mar 31 23:07:09 GMT 2025

PRIMARY

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HEXOCYCLIUM METHYLSULFATE

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