methyl 4-[[4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[(2,4-dichlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(2,4-dichlorobenzyl)piperazin-4-ium-1-carbonyl]amino]benzoic acid methyl ester Formula: C20H22Cl2N3O3+ MolecularWeight: 423.31298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O3/c1-28-19(26)14-3-6-17(7-4-14)23-20(27)25-10-8-24(9-11-25)13-15-2-5-16(21)12-18(15)22/h2-7,12H,8-11,13H2,1H3,(H,23,27)/p+1