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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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