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

Systemtic Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(3-methylphenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(3-methylbenzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(3-methylbenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-(m-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=C3)C

Isomeric SMILES

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

InChI

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