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

Systemtic Name: N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methylpropyl)-2-methylsulfanyl-ethanamide Openeye Name: N-isobutyl-N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-2-methylsulfanyl-acetamide CAS Name: N-[[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(2-methylpropyl)-2-(methylthio)acetamide IUPAC Name: N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide Traditional Name: N-isobutyl-2-(methylthio)-N-[(1-o-anisylpiperidin-1-ium-4-yl)methyl]acetamide Formula: C21H35N2O2S+ MolecularWeight: 379.5798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1CC[NH+](CC1)CC2=CC=CC=C2OC)C(=O)CSC

Isomeric SMILES

CC(C)CN(CC1CC[NH+](CC1)CC2=CC=CC=C2OC)C(=O)CSC

InChI

InChI=1S/C21H34N2O2S/c1-17(2)13-23(21(24)16-26-4)14-18-9-11-22(12-10-18)15-19-7-5-6-8-20(19)25-3/h5-8,17-18H,9-16H2,1-4H3/p+1