3-(methylsulfanylmethyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 3-(methylsulfanylmethyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)benzamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-3-(methylsulfanylmethyl)benzamide CAS Name: 3-[(methylthio)methyl]-N-(1-propan-2-yl-4-piperidin-1-iumyl)benzamide IUPAC Name: 3-(methylsulfanylmethyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)benzamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-3-[(methylthio)methyl]benzamide Formula: C17H27N2OS+ MolecularWeight: 307.47408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)CSC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)CSC

InChI

InChI=1S/C17H26N2OS/c1-13(2)19-9-7-16(8-10-19)18-17(20)15-6-4-5-14(11-15)12-21-3/h4-6,11,13,16H,7-10,12H2,1-3H3,(H,18,20)/p+1