TROXYPYRROLIUM TOSILATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H28NO5.C7H7O3S
Molecular Weight	509.612
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CC[N+]3(CCOC(=O)C2=CC(OC)=C(OC)C(OC)=C2)CCCC3

InChI

InChIKey=JSALPWQBJBMBAG-UHFFFAOYSA-M

InChI=1S/C18H28NO5.C7H8O3S/c1-5-19(8-6-7-9-19)10-11-24-18(20)14-12-15(21-2)17(23-4)16(13-14)22-3;1-6-2-4-7(5-3-6)11(8,9)10/h12-13H,5-11H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C7H7O3S
Molecular Weight	171.194
Charge	-1
Count

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

Molecular Formula	C18H28NO5
Molecular Weight	338.4186
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:55:16 GMT 2023` Edited by `admin` on `Fri Dec 15 15:55:16 GMT 2023`
Record UNII	CA6Z7US56V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TROXYPYRROLIUM TOSILATE

Official Name

English

1-ETHYL-1-(2-HYDROXYETHYL)PYRROLIDINIUM 3,4,5-TRIMETHOXYBENZOATE, P-TOLUENESULFONATE

Common Name

English

TROXYPYRROLIUM TOSYLATE

Common Name

English

troxypyrrolium tosilate [INN]

Common Name

English

Troxypyrrolium tosilate [WHO-DD]

Common Name

English

1-ETHYL-1-(2-HYDROXYETHYL)PYRROLIDINIUM 3,4,5-TRIMETHOXYBENZOATE, P-TOLUENESULPHONATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66880