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

Systemtic Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)carbonylbenzoate Openeye Name: 3-(4-cyclohexylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 3-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]benzoate IUPAC Name: 3-(4-cyclohexylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 3-(4-cyclohexylpiperazin-4-ium-1-carbonyl)benzoate Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)[O-]

InChI

InChI=1S/C18H24N2O3/c21-17(14-5-4-6-15(13-14)18(22)23)20-11-9-19(10-12-20)16-7-2-1-3-8-16/h4-6,13,16H,1-3,7-12H2,(H,22,23)