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

Systemtic Name: ethyl 3-[(2-chlorophenyl)carbonylamino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3/c1-3-25-11-13-26(14-12-25)20-10-9-16(22(28)29-4-2)15-19(20)24-21(27)17-7-5-6-8-18(17)23/h5-10,15H,3-4,11-14H2,1-2H3,(H,24,27)/p+1