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

Systemtic Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propanamide Openeye Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propanamide CAS Name: 3-[1-(1,4-dithiepan-6-yl)-4-piperidin-1-iumyl]-N-(3-methoxyphenyl)propanamide IUPAC Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propanamide Traditional Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propionamide Formula: C20H31N2O2S2+ MolecularWeight: 395.60234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CCC2CC[NH+](CC2)C3CSCCSC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CCC2CC[NH+](CC2)C3CSCCSC3

InChI

InChI=1S/C20H30N2O2S2/c1-24-19-4-2-3-17(13-19)21-20(23)6-5-16-7-9-22(10-8-16)18-14-25-11-12-26-15-18/h2-4,13,16,18H,5-12,14-15H2,1H3,(H,21,23)/p+1