2-(4-cycloheptylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: 2-(4-cycloheptylpiperazin-4-ium-1-yl)benzoate Openeye Name: 2-(4-cycloheptylpiperazin-4-ium-1-yl)benzoate CAS Name: 2-(4-cycloheptyl-1-piperazin-4-iumyl)benzoate IUPAC Name: 2-(4-cycloheptylpiperazin-4-ium-1-yl)benzoate Traditional Name: 2-(4-cycloheptylpiperazin-4-ium-1-yl)benzoate Formula: C18H26N2O2 MolecularWeight: 302.41124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C18H26N2O2/c21-18(22)16-9-5-6-10-17(16)20-13-11-19(12-14-20)15-7-3-1-2-4-8-15/h5-6,9-10,15H,1-4,7-8,11-14H2,(H,21,22)