1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]-N-(2-methylsulfanylethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]-N-(2-methylsulfanylethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylsulfanylethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumyl]-N-[2-(methylthio)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]-N-(2-methylsulfanylethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]-N-[2-(methylthio)ethyl]piperidin-1-ium-4-carboxamide Formula: C21H36N4OS+2 MolecularWeight: 392.60174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCSC

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCSC

InChI

InChI=1S/C21H34N4OS/c1-17-4-3-5-19(23-17)16-24-11-8-20(9-12-24)25-13-6-18(7-14-25)21(26)22-10-15-27-2/h3-5,18,20H,6-16H2,1-2H3,(H,22,26)/p+2