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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3.[Br-]

InChI

InChI=1S/C31H41ClN2O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-36-30-28(32)15-14-16-29(30)33-31(35)27-19-17-26(18-20-27)24-34-21-23-37-25-34;/h14-21,23,25H,2-13,22,24H2,1H3;1H