N-(4-methoxy-3-tetradecoxy-phenyl)-2-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide

Systemtic Name: N-(4-methoxy-3-tetradecoxy-phenyl)-2-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Openeye Name: N-(4-methoxy-3-tetradecoxy-phenyl)-2-(thiazol-3-ium-3-ylmethyl)benzamide bromide CAS Name: N-(4-methoxy-3-tetradecoxyphenyl)-2-(3-thiazol-3-iumylmethyl)benzamide bromide IUPAC Name: N-(4-methoxy-3-tetradecoxyphenyl)-2-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Traditional Name: N-(4-methoxy-3-myristyloxy-phenyl)-2-(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=CC(=C1)NC(=O)C2=CC=CC=C2C[N+]3=CSC=C3)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2C[N+]3=CSC=C3)OC.[Br-]

InChI

InChI=1S/C32H44N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-37-31-24-28(19-20-30(31)36-2)33-32(35)29-18-15-14-17-27(29)25-34-21-23-38-26-34;/h14-15,17-21,23-24,26H,3-13,16,22,25H2,1-2H3;1H