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

Systemtic Name: N-(3-chloranyl-4-hexadecoxy-phenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Openeye Name: N-(3-chloro-4-hexadecoxy-phenyl)-4-(thiazol-3-ium-3-ylmethyl)benzamide bromide CAS Name: N-(3-chloro-4-hexadecoxyphenyl)-4-(3-thiazol-3-iumylmethyl)benzamide bromide IUPAC Name: N-(3-chloro-4-hexadecoxyphenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Traditional Name: N-(4-cetyloxy-3-chloro-phenyl)-4-(thiazol-3-ium-3-ylmethyl)benzamide bromide Formula: C33H46BrClN2O2S MolecularWeight: 650.15254

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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)Cl.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C33H45ClN2O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-38-32-21-20-30(25-31(32)34)35-33(37)29-18-16-28(17-19-29)26-36-22-24-39-27-36;/h16-22,24-25,27H,2-15,23,26H2,1H3;1H