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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H46N2O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-37-32-18-16-17-31(26-32)34-33(36)30-21-19-29(20-22-30)27-35-23-25-38-28-35;/h16-23,25-26,28H,2-15,24,27H2,1H3;1H