(2S)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]-2-phenyl-acetate CAS Name: (2S)-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]-2-phenylacetate IUPAC Name: (2S)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]-2-phenylacetate Traditional Name: (2S)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]-2-phenyl-acetate Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H22N2O2/c1-15-6-5-9-17(14-15)20-10-12-21(13-11-20)18(19(22)23)16-7-3-2-4-8-16/h2-9,14,18H,10-13H2,1H3,(H,22,23)/t18-/m0/s1