methyl N-[[4-ethanoyl-1-methyl-3-(4-tetradecoxyphenyl)pyridin-1-ium-2-yl]methyl]carbamate iodide

Systemtic Name: methyl N-[[4-ethanoyl-1-methyl-3-(4-tetradecoxyphenyl)pyridin-1-ium-2-yl]methyl]carbamate iodide Openeye Name: methyl N-[[4-acetyl-1-methyl-3-(4-tetradecoxyphenyl)pyridin-1-ium-2-yl]methyl]carbamate iodide CAS Name: N-[[4-acetyl-1-methyl-3-(4-tetradecoxyphenyl)-2-pyridin-1-iumyl]methyl]carbamic acid methyl ester iodide IUPAC Name: methyl N-[[4-acetyl-1-methyl-3-(4-tetradecoxyphenyl)pyridin-1-ium-2-yl]methyl]carbamate iodide Traditional Name: N-[[4-acetyl-1-methyl-3-(4-myristyloxyphenyl)pyridin-1-ium-2-yl]methyl]carbamic acid methyl ester iodide Formula: C31H47IN2O4 MolecularWeight: 638.62035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C=C[N+](=C2CNC(=O)OC)C)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C=C[N+](=C2CNC(=O)OC)C)C(=O)C.[I-]

InChI

InChI=1S/C31H46N2O4.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-37-27-19-17-26(18-20-27)30-28(25(2)34)21-22-33(3)29(30)24-32-31(35)36-4;/h17-22H,5-16,23-24H2,1-4H3;1H