1-[5-azanyl-6-methyl-1-(phenylmethyl)-4-(4-tetradecoxyphenyl)carbonyl-pyridin-1-ium-3-yl]ethanone bromide

Systemtic Name: 1-[5-azanyl-6-methyl-1-(phenylmethyl)-4-(4-tetradecoxyphenyl)carbonyl-pyridin-1-ium-3-yl]ethanone bromide Openeye Name: 1-[5-amino-1-benzyl-6-methyl-4-(4-tetradecoxybenzoyl)pyridin-1-ium-3-yl]ethanone bromide CAS Name: 1-[5-amino-6-methyl-4-[oxo-(4-tetradecoxyphenyl)methyl]-1-(phenylmethyl)-3-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-[5-amino-1-benzyl-6-methyl-4-(4-tetradecoxybenzoyl)pyridin-1-ium-3-yl]ethanone bromide Traditional Name: 1-[5-amino-1-benzyl-6-methyl-4-(4-myristyloxybenzoyl)pyridin-1-ium-3-yl]ethanone bromide Formula: C36H49BrN2O3 MolecularWeight: 637.68986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C2=C(C(=[N+](C=C2C(=O)C)CC3=CC=CC=C3)C)N.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C2=C(C(=[N+](C=C2C(=O)C)CC3=CC=CC=C3)C)N.[Br-]

InChI

InChI=1S/C36H48N2O3.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-18-25-41-32-23-21-31(22-24-32)36(40)34-33(29(3)39)27-38(28(2)35(34)37)26-30-19-16-15-17-20-30;/h15-17,19-24,27H,4-14,18,25-26H2,1-3H3,(H-,37,40);1H