dimethyl 2-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H27N3O5/c1-16-6-4-5-7-20(16)26-12-10-25(11-13-26)15-21(27)24-19-14-17(22(28)30-2)8-9-18(19)23(29)31-3/h4-9,14H,10-13,15H2,1-3H3,(H,24,27)/p+1