(3R)-1-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-[2-(p-tolylthio)ethylamino]ethyl]piperidin-1-ium-3-carboxamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C17H25N3O2S/c1-13-4-6-15(7-5-13)23-10-8-19-16(21)12-20-9-2-3-14(11-20)17(18)22/h4-7,14H,2-3,8-12H2,1H3,(H2,18,22)(H,19,21)/p+1/t14-/m1/s1