methyl 3-[(2-chlorophenyl)carbonylamino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-[(2-chlorophenyl)carbonylamino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-[(2-chlorobenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[(2-chlorophenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2-chlorobenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-[(2-chlorobenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O3/c1-3-24-10-12-25(13-11-24)19-9-8-15(21(27)28-2)14-18(19)23-20(26)16-6-4-5-7-17(16)22/h4-9,14H,3,10-13H2,1-2H3,(H,23,26)/p+1