N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[1-[2-(2-methoxyphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-N-methyl-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-(methylthio)nicotinamide Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC[NH+](CC1)CCC2=CC=CC=C2OC)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC=CC=C2OC)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C23H31N3O2S/c1-25(23(27)20-8-6-13-24-22(20)29-3)17-18-10-14-26(15-11-18)16-12-19-7-4-5-9-21(19)28-2/h4-9,13,18H,10-12,14-17H2,1-3H3/p+1