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

Systemtic Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(2-methylphenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(2-methylbenzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-[[(2-methylphenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(2-methylbenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-(o-toluoylamino)benzoic acid methyl ester Formula: C22H28N3O3+ MolecularWeight: 382.47602

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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=C3C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C22H27N3O3/c1-4-24-11-13-25(14-12-24)20-10-9-17(22(27)28-3)15-19(20)23-21(26)18-8-6-5-7-16(18)2/h5-10,15H,4,11-14H2,1-3H3,(H,23,26)/p+1