4-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]benzoate

Systemtic Name: 4-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]benzoate Openeye Name: 4-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]benzoate CAS Name: 4-[4-[(1R,2S)-2-methylcyclohexyl]-1-piperazin-4-iumyl]benzoate IUPAC Name: 4-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]benzoate Formula: C18H26N2O2 MolecularWeight: 302.41124

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@H]1[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H26N2O2/c1-14-4-2-3-5-17(14)20-12-10-19(11-13-20)16-8-6-15(7-9-16)18(21)22/h6-9,14,17H,2-5,10-13H2,1H3,(H,21,22)/t14-,17+/m0/s1