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

Systemtic Name: N-(4-hexadecoxy-3-methoxy-phenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Openeye Name: N-(4-hexadecoxy-3-methoxy-phenyl)-4-(thiazol-3-ium-3-ylmethyl)benzamide bromide CAS Name: N-(4-hexadecoxy-3-methoxyphenyl)-4-(3-thiazol-3-iumylmethyl)benzamide bromide IUPAC Name: N-(4-hexadecoxy-3-methoxyphenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Traditional Name: N-(4-cetyloxy-3-methoxy-phenyl)-4-(thiazol-3-ium-3-ylmethyl)benzamide bromide Formula: C34H49BrN2O3S MolecularWeight: 645.73346

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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)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C34H48N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-39-32-22-21-31(26-33(32)38-2)35-34(37)30-19-17-29(18-20-30)27-36-23-25-40-28-36;/h17-23,25-26,28H,3-16,24,27H2,1-2H3;1H