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

Systemtic Name: methyl 4-[[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]carbamoylamino]benzoate Openeye Name: methyl 4-[[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]carbamoylamino]benzoate CAS Name: 4-[[[2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]anilino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]carbamoylamino]benzoate Traditional Name: 4-[[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]carbamoylamino]benzoic acid methyl ester Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-24-11-13-25(14-12-24)19(26)17-5-3-4-6-18(17)23-21(28)22-16-9-7-15(8-10-16)20(27)29-2/h3-10H,11-14H2,1-2H3,(H2,22,23,28)/p+1