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

Systemtic Name: N-(3-methoxy-4-tetradecoxy-phenyl)-3-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Openeye Name: N-(3-methoxy-4-tetradecoxy-phenyl)-3-(thiazol-3-ium-3-ylmethyl)benzamide bromide CAS Name: N-(3-methoxy-4-tetradecoxyphenyl)-3-(3-thiazol-3-iumylmethyl)benzamide bromide IUPAC Name: N-(3-methoxy-4-tetradecoxyphenyl)-3-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Traditional Name: N-(3-methoxy-4-myristyloxy-phenyl)-3-(thiazol-3-ium-3-ylmethyl)benzamide bromide Formula: C32H45BrN2O3S MolecularWeight: 617.6803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C[N+]3=CSC=C3)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C[N+]3=CSC=C3)OC.[Br-]

InChI

InChI=1S/C32H44N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-37-30-19-18-29(24-31(30)36-2)33-32(35)28-17-15-16-27(23-28)25-34-20-22-38-26-34;/h15-20,22-24,26H,3-14,21,25H2,1-2H3;1H