N-(4-tetradecoxyphenyl)-2-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide

Systemtic Name: N-(4-tetradecoxyphenyl)-2-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Openeye Name: N-(4-tetradecoxyphenyl)-2-(thiazol-3-ium-3-ylmethyl)benzamide bromide CAS Name: N-(4-tetradecoxyphenyl)-2-(3-thiazol-3-iumylmethyl)benzamide bromide IUPAC Name: N-(4-tetradecoxyphenyl)-2-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Traditional Name: N-(4-myristyloxyphenyl)-2-(thiazol-3-ium-3-ylmethyl)benzamide bromide Formula: C31H43BrN2O2S MolecularWeight: 587.65432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N2O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-15-23-35-29-20-18-28(19-21-29)32-31(34)30-17-14-13-16-27(30)25-33-22-24-36-26-33;/h13-14,16-22,24,26H,2-12,15,23,25H2,1H3;1H