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

Systemtic Name: 2-(3-tert-butyl-4-tetradecoxy-phenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]ethanamide bromide Openeye Name: 2-(3-tert-butyl-4-tetradecoxy-phenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]acetamide bromide CAS Name: 2-(3-tert-butyl-4-tetradecoxyphenyl)-N-[1-(1-pyridin-1-iumylmethyl)-1-cyclohexa-2,4-dienyl]acetamide bromide IUPAC Name: 2-(3-tert-butyl-4-tetradecoxyphenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]acetamide bromide Traditional Name: 2-(3-tert-butyl-4-myristyloxy-phenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]acetamide bromide Formula: C38H57BrN2O2 MolecularWeight: 653.77538

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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(C)(C)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C38H56N2O2.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-22-29-42-35-24-23-33(30-34(35)37(2,3)4)31-36(41)39-38(25-18-16-19-26-38)32-40-27-20-17-21-28-40;/h16-21,23-25,27-28,30H,5-15,22,26,29,31-32H2,1-4H3;1H