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

Systemtic Name: N-(2-chloranyl-4-tetradecoxy-phenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Openeye Name: N-(2-chloro-4-tetradecoxy-phenyl)-4-(thiazol-3-ium-3-ylmethyl)benzamide bromide CAS Name: N-(2-chloro-4-tetradecoxyphenyl)-4-(3-thiazol-3-iumylmethyl)benzamide bromide IUPAC Name: N-(2-chloro-4-tetradecoxyphenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Traditional Name: N-(2-chloro-4-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=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3)Cl.[Br-]

Isomeric SMILES

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

InChI

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