N-(2-hexadecoxyphenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide

Systemtic Name: N-(2-hexadecoxyphenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Openeye Name: N-(2-hexadecoxyphenyl)-4-(thiazol-3-ium-3-ylmethyl)benzamide bromide CAS Name: N-(2-hexadecoxyphenyl)-4-(3-thiazol-3-iumylmethyl)benzamide bromide IUPAC Name: N-(2-hexadecoxyphenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Traditional Name: N-(2-cetyloxyphenyl)-4-(thiazol-3-ium-3-ylmethyl)benzamide bromide Formula: C33H47BrN2O2S MolecularWeight: 615.70748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3.[Br-]

InChI

InChI=1S/C33H46N2O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25-37-32-19-16-15-18-31(32)34-33(36)30-22-20-29(21-23-30)27-35-24-26-38-28-35;/h15-16,18-24,26,28H,2-14,17,25,27H2,1H3;1H