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Details

Stereochemistry ACHIRAL
Molecular Formula C23H23N2.I
Molecular Weight 454.3466
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PSEUDOISOCYANINE IODIDE

SMILES

[I-].CCN1\C(=C\C2=[N+](CC)C3=CC=CC=C3C=C2)C=CC4=CC=CC=C14

InChI

InChIKey=GMYRVMSXMHEDTL-UHFFFAOYSA-M
InChI=1S/C23H23N2.HI/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C23H23N2
Molecular Weight 327.4421
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula HI
Molecular Weight 127.9124
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
BRU7LG9LNL
Record Status Validated (UNII)
Record Version