N-(3-tert-butyl-4-hexadecoxy-phenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide

Systemtic Name: N-(3-tert-butyl-4-hexadecoxy-phenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Openeye Name: N-(3-tert-butyl-4-hexadecoxy-phenyl)-4-(thiazol-3-ium-3-ylmethyl)benzamide bromide CAS Name: N-(3-tert-butyl-4-hexadecoxyphenyl)-4-(3-thiazol-3-iumylmethyl)benzamide bromide IUPAC Name: N-(3-tert-butyl-4-hexadecoxyphenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Traditional Name: N-(3-tert-butyl-4-cetyloxy-phenyl)-4-(thiazol-3-ium-3-ylmethyl)benzamide bromide Formula: C37H55BrN2O2S MolecularWeight: 671.8138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3)C(C)(C)C.[Br-]

InChI

InChI=1S/C37H54N2O2S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-41-35-24-23-33(28-34(35)37(2,3)4)38-36(40)32-21-19-31(20-22-32)29-39-25-27-42-30-39;/h19-25,27-28,30H,5-18,26,29H2,1-4H3;1H