3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-(3-methylphenyl)propanamide

Systemtic Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-(3-methylphenyl)propanamide Openeye Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-(m-tolyl)propanamide CAS Name: 3-[1-(1,4-dithiepan-6-yl)-4-piperidin-1-iumyl]-N-(3-methylphenyl)propanamide IUPAC Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-(3-methylphenyl)propanamide Traditional Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-(m-tolyl)propionamide Formula: C20H31N2OS2+ MolecularWeight: 379.60294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)C3CSCCSC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)C3CSCCSC3

InChI

InChI=1S/C20H30N2OS2/c1-16-3-2-4-18(13-16)21-20(23)6-5-17-7-9-22(10-8-17)19-14-24-11-12-25-15-19/h2-4,13,17,19H,5-12,14-15H2,1H3,(H,21,23)/p+1