2-(4-tetradecoxyphenyl)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide

Systemtic Name: 2-(4-tetradecoxyphenyl)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(4-tetradecoxyphenyl)-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(4-tetradecoxyphenyl)-N-[2-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(4-tetradecoxyphenyl)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(4-myristyloxyphenyl)-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C32H45BrN2O2S MolecularWeight: 601.6809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3.[Br-]

InChI

InChI=1S/C32H44N2O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-15-23-36-30-20-18-28(19-21-30)25-32(35)33-31-17-14-13-16-29(31)26-34-22-24-37-27-34;/h13-14,16-22,24,27H,2-12,15,23,25-26H2,1H3;1H