methyl 4-methyl-3-[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C23H31N3O3+2 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C23H29N3O3/c1-17-6-4-5-7-20(17)15-25-10-12-26(13-11-25)16-22(27)24-21-14-19(23(28)29-3)9-8-18(21)2/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,27)/p+2