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

Systemtic Name: 1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[4-(m-tolyl)piperazino]ethyl]piperidin-1-ium-4-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+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C[NH+]3CCC(CC3)C(=O)[O-]

InChI

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