N-(3-methylphenyl)-3-[1-(thian-4-yl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(3-methylphenyl)-3-[1-(thian-4-yl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(m-tolyl)-3-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)propanamide CAS Name: N-(3-methylphenyl)-3-[1-(4-thianyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-methylphenyl)-3-[1-(thian-4-yl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-(m-tolyl)-3-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)propionamide Formula: C20H31N2OS+ MolecularWeight: 347.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)C3CCSCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)C3CCSCC3

InChI

InChI=1S/C20H30N2OS/c1-16-3-2-4-18(15-16)21-20(23)6-5-17-7-11-22(12-8-17)19-9-13-24-14-10-19/h2-4,15,17,19H,5-14H2,1H3,(H,21,23)/p+1