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

Systemtic Name: 2-(3-ethanoyl-4-tetradecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-acetyl-4-tetradecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-acetyl-4-tetradecoxyphenyl)-N-[4-(1-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-acetyl-4-tetradecoxyphenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-acetyl-4-myristyloxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Formula: C36H49BrN2O3 MolecularWeight: 637.68986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H48N2O3.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-17-26-41-35-23-20-32(27-34(35)30(2)39)28-36(40)37-33-21-18-31(19-22-33)29-38-24-15-14-16-25-38;/h14-16,18-25,27H,3-13,17,26,28-29H2,1-2H3;1H