2-(4-cyclopentylpiperazin-4-ium-1-yl)carbonylbenzoate

Systemtic Name: 2-(4-cyclopentylpiperazin-4-ium-1-yl)carbonylbenzoate Openeye Name: 2-(4-cyclopentylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 2-[(4-cyclopentyl-1-piperazin-4-iumyl)-oxomethyl]benzoate IUPAC Name: 2-(4-cyclopentylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 2-(4-cyclopentylpiperazin-4-ium-1-carbonyl)benzoate Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C17H22N2O3/c20-16(14-7-3-4-8-15(14)17(21)22)19-11-9-18(10-12-19)13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,21,22)