2-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: 2-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: 2-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-carbonyl]benzoate CAS Name: 2-[oxo-[4-[(1R)-1-phenylethyl]-1-piperazin-4-iumyl]methyl]benzoate IUPAC Name: 2-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 2-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-carbonyl]benzoate Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C20H22N2O3/c1-15(16-7-3-2-4-8-16)21-11-13-22(14-12-21)19(23)17-9-5-6-10-18(17)20(24)25/h2-10,15H,11-14H2,1H3,(H,24,25)/t15-/m1/s1