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

Systemtic Name: N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methylpropyl)-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-isobutyl-N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(2-methylpropyl)-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-isobutyl-2-(methylthio)-N-[(1-o-anisylpiperidin-1-ium-4-yl)methyl]nicotinamide Formula: C25H36N3O2S+ MolecularWeight: 442.63724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1CC[NH+](CC1)CC2=CC=CC=C2OC)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC(C)CN(CC1CC[NH+](CC1)CC2=CC=CC=C2OC)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C25H35N3O2S/c1-19(2)16-28(25(29)22-9-7-13-26-24(22)31-4)17-20-11-14-27(15-12-20)18-21-8-5-6-10-23(21)30-3/h5-10,13,19-20H,11-12,14-18H2,1-4H3/p+1