3-(4-cyclopentylpiperazin-4-ium-1-yl)carbonylbenzoate

Systemtic Name: 3-(4-cyclopentylpiperazin-4-ium-1-yl)carbonylbenzoate Openeye Name: 3-(4-cyclopentylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 3-[(4-cyclopentyl-1-piperazin-4-iumyl)-oxomethyl]benzoate IUPAC Name: 3-(4-cyclopentylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 3-(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=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

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