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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N2O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-35-30-19-15-18-29(24-30)32-31(34)28-17-14-16-27(23-28)25-33-20-22-36-26-33;/h14-20,22-24,26H,2-13,21,25H2,1H3;1H