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

Systemtic Name: 2-[4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanoate Openeye Name: 2-[4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetate CAS Name: 2-[4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]phenyl]acetate IUPAC Name: 2-[4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetate Traditional Name: 2-[4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetate Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-16-4-3-5-20(17(16)2)23-12-10-22(11-13-23)15-19-8-6-18(7-9-19)14-21(24)25/h3-9H,10-15H2,1-2H3,(H,24,25)