N-(2-chloranyl-4-tetradecoxy-phenyl)-2-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide

Systemtic Name: N-(2-chloranyl-4-tetradecoxy-phenyl)-2-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Openeye Name: N-(2-chloro-4-tetradecoxy-phenyl)-2-(thiazol-3-ium-3-ylmethyl)benzamide bromide CAS Name: N-(2-chloro-4-tetradecoxyphenyl)-2-(3-thiazol-3-iumylmethyl)benzamide bromide IUPAC Name: N-(2-chloro-4-tetradecoxyphenyl)-2-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Traditional Name: N-(2-chloro-4-myristyloxy-phenyl)-2-(thiazol-3-ium-3-ylmethyl)benzamide bromide Formula: C31H42BrClN2O2S MolecularWeight: 622.09938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2C[N+]3=CSC=C3)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2C[N+]3=CSC=C3)Cl.[Br-]

InChI

InChI=1S/C31H41ClN2O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-36-27-18-19-30(29(32)23-27)33-31(35)28-17-14-13-16-26(28)24-34-20-22-37-25-34;/h13-14,16-20,22-23,25H,2-12,15,21,24H2,1H3;1H