methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-(pyridin-3-ylcarbonylamino)benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-(pyridin-3-ylcarbonylamino)benzoate Openeye Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-(pyridine-3-carbonylamino)benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-[[oxo(3-pyridinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-(pyridine-3-carbonylamino)benzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nicotinamido-benzoic acid methyl ester Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3/c1-22-8-10-23(11-9-22)17-6-5-14(19(25)26-2)12-16(17)21-18(24)15-4-3-7-20-13-15/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)/p+1