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

Systemtic Name: 4-[4-[(3,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]benzoate Openeye Name: 4-[4-[(3,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]benzoate CAS Name: 4-[4-[(3,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]benzoate IUPAC Name: 4-[4-[(3,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-(3,4-dimethylbenzyl)piperazin-4-ium-1-yl]benzoate Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2/c1-15-3-4-17(13-16(15)2)14-21-9-11-22(12-10-21)19-7-5-18(6-8-19)20(23)24/h3-8,13H,9-12,14H2,1-2H3,(H,23,24)