(3R)-1-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[1-[3-(methylthio)propyl]-4-piperidin-1-iumyl]-N-(2-pyridinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[1-[3-(methylthio)propyl]piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide Formula: C21H36N4OS+2 MolecularWeight: 392.60174

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CSCCC[NH+]1CCC(CC1)[NH+]2CCC[C@H](C2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C21H34N4OS/c1-27-15-5-11-24-13-8-20(9-14-24)25-12-4-6-18(17-25)21(26)23-16-19-7-2-3-10-22-19/h2-3,7,10,18,20H,4-6,8-9,11-17H2,1H3,(H,23,26)/p+2/t18-/m1/s1