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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c20-16(13-5-7-14(8-6-13)17(21)22)19-11-9-18(10-12-19)15-3-1-2-4-15/h5-8,15H,1-4,9-12H2,(H,21,22)