3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzoate Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=CC(=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=CC(=C3)C(=O)[O-])C

InChI

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