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

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetate Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-11-4-3-5-13(12(11)2)16-8-6-15(7-9-16)10-14(17)18/h3-5H,6-10H2,1-2H3,(H,17,18)