4-methoxy-N-(2-methylsulfanylethyl)-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: 4-methoxy-N-(2-methylsulfanylethyl)-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: 3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-N-(2-methylsulfanylethyl)benzamide CAS Name: 4-methoxy-N-[2-(methylthio)ethyl]-3-[(1-propan-2-yl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: 4-methoxy-N-(2-methylsulfanylethyl)-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: 3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-N-[2-(methylthio)ethyl]benzamide Formula: C19H31N2O3S+ MolecularWeight: 367.52604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)C(=O)NCCSC)OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)C(=O)NCCSC)OC

InChI

InChI=1S/C19H30N2O3S/c1-14(2)21-10-7-16(8-11-21)24-18-13-15(5-6-17(18)23-3)19(22)20-9-12-25-4/h5-6,13-14,16H,7-12H2,1-4H3,(H,20,22)/p+1