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

Systemtic Name: 1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylsulfanylethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-(2-methylsulfanylethyl)-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-N-[2-(methylthio)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylsulfanylethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]-N-[2-(methylthio)ethyl]piperidin-1-ium-4-carboxamide Formula: C22H37N3OS+2 MolecularWeight: 391.61368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCSC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCSC

InChI

InChI=1S/C22H35N3OS/c1-18-5-3-4-6-20(18)17-24-12-9-21(10-13-24)25-14-7-19(8-15-25)22(26)23-11-16-27-2/h3-6,19,21H,7-17H2,1-2H3,(H,23,26)/p+2