1-[4-azanyl-5-methoxy-1,6-dimethyl-3-(4-tetradecoxyphenyl)carbonyl-pyridin-1-ium-2-yl]ethanone iodide

Systemtic Name: 1-[4-azanyl-5-methoxy-1,6-dimethyl-3-(4-tetradecoxyphenyl)carbonyl-pyridin-1-ium-2-yl]ethanone iodide Openeye Name: 1-[4-amino-5-methoxy-1,6-dimethyl-3-(4-tetradecoxybenzoyl)pyridin-1-ium-2-yl]ethanone iodide CAS Name: 1-[4-amino-5-methoxy-1,6-dimethyl-3-[oxo-(4-tetradecoxyphenyl)methyl]-2-pyridin-1-iumyl]ethanone iodide IUPAC Name: 1-[4-amino-5-methoxy-1,6-dimethyl-3-(4-tetradecoxybenzoyl)pyridin-1-ium-2-yl]ethanone iodide Traditional Name: 1-[4-amino-5-methoxy-1,6-dimethyl-3-(4-myristyloxybenzoyl)pyridin-1-ium-2-yl]ethanone iodide Formula: C31H47IN2O4 MolecularWeight: 638.62035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C2=C(C(=C([N+](=C2C(=O)C)C)C)OC)N.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C2=C(C(=C([N+](=C2C(=O)C)C)C)OC)N.[I-]

InChI

InChI=1S/C31H46N2O4.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-22-37-26-20-18-25(19-21-26)30(35)27-28(32)31(36-5)23(2)33(4)29(27)24(3)34;/h18-21,32H,6-17,22H2,1-5H3;1H