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

Systemtic Name: methyl 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C15H23N2O2+ MolecularWeight: 263.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-12-5-4-6-14(13(12)2)17-9-7-16(8-10-17)11-15(18)19-3/h4-6H,7-11H2,1-3H3/p+1