methyl 4-[[2-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]carbamoylamino]benzoate

Systemtic Name: methyl 4-[[2-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]carbamoylamino]benzoate Openeye Name: methyl 4-[[2-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]carbamoylamino]benzoate CAS Name: 4-[[[2-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]anilino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]carbamoylamino]benzoate Traditional Name: 4-[[2-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]carbamoylamino]benzoic acid methyl ester Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26N4O4/c1-3-25-12-14-26(15-13-25)20(27)18-6-4-5-7-19(18)24-22(29)23-17-10-8-16(9-11-17)21(28)30-2/h4-11H,3,12-15H2,1-2H3,(H2,23,24,29)/p+1