1-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[1-[3-(methylthio)propyl]-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[1-[3-(methylthio)propyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)isonipecotamide Formula: C21H35N4OS+ MolecularWeight: 391.5938

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCC(CC1)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CSCCC[NH+]1CCC(CC1)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H34N4OS/c1-27-15-3-10-24-11-7-20(8-12-24)25-13-5-19(6-14-25)21(26)23-17-18-4-2-9-22-16-18/h2,4,9,16,19-20H,3,5-8,10-15,17H2,1H3,(H,23,26)/p+1