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

Systemtic Name: methyl 2-[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H29N3O3+2 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H27N3O3/c1-17-7-3-4-8-18(17)15-24-11-13-25(14-12-24)16-21(26)23-20-10-6-5-9-19(20)22(27)28-2/h3-10H,11-16H2,1-2H3,(H,23,26)/p+2