(3S)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[4-(m-tolyl)piperazino]ethyl]piperidin-1-ium-3-carboxylate Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C[NH+]3CCCC(C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C[NH+]3CCC[C@@H](C3)C(=O)[O-]

InChI

InChI=1S/C19H27N3O3/c1-15-4-2-6-17(12-15)21-8-10-22(11-9-21)18(23)14-20-7-3-5-16(13-20)19(24)25/h2,4,6,12,16H,3,5,7-11,13-14H2,1H3,(H,24,25)/t16-/m0/s1