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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NC2(CC=CC=C2)C[N+]3=CC=CC=C3)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NC2(CC=CC=C2)C[N+]3=CC=CC=C3)C(=O)C.[Br-]

InChI

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