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

Systemtic Name: 2-(4-cyclohexylpiperazin-4-ium-1-yl)carbonylbenzoate Openeye Name: 2-(4-cyclohexylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 2-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]benzoate IUPAC Name: 2-(4-cyclohexylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 2-(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=C3C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)[O-]

InChI

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