4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]benzoate

Systemtic Name: 4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]benzoate Openeye Name: 4-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]benzoate CAS Name: 4-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]benzoate IUPAC Name: 4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]benzoate Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H22N2O2/c1-15-3-2-4-16(13-15)14-20-9-11-21(12-10-20)18-7-5-17(6-8-18)19(22)23/h2-8,13H,9-12,14H2,1H3,(H,22,23)