2-(3-ethanoyl-2-tetradecoxy-phenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]ethanamide bromide

Systemtic Name: 2-(3-ethanoyl-2-tetradecoxy-phenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]ethanamide bromide Openeye Name: 2-(3-acetyl-2-tetradecoxy-phenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]acetamide bromide CAS Name: 2-(3-acetyl-2-tetradecoxyphenyl)-N-[1-(1-pyridin-1-iumylmethyl)-1-cyclohexa-2,4-dienyl]acetamide bromide IUPAC Name: 2-(3-acetyl-2-tetradecoxyphenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]acetamide bromide Traditional Name: 2-(3-acetyl-2-myristyloxy-phenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]acetamide bromide Formula: C36H51BrN2O3 MolecularWeight: 639.70574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1CC(=O)NC2(CC=CC=C2)C[N+]3=CC=CC=C3)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1CC(=O)NC2(CC=CC=C2)C[N+]3=CC=CC=C3)C(=O)C.[Br-]

InChI

InChI=1S/C36H50N2O3.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-20-28-41-35-32(22-21-23-33(35)31(2)39)29-34(40)37-36(24-16-14-17-25-36)30-38-26-18-15-19-27-38;/h14-19,21-24,26-27H,3-13,20,25,28-30H2,1-2H3;1H