methyl 5-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-5-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 2-hydroxy-5-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 2-hydroxy-5-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3)O)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C20H24N2O3/c1-15-5-3-4-6-18(15)22-11-9-21(10-12-22)14-16-7-8-19(23)17(13-16)20(24)25-2/h3-8,13,23H,9-12,14H2,1-2H3/p+1