methyl 2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylamino]benzoate Openeye Name: methyl 2-[(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)amino]benzoate CAS Name: 2-[[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)amino]benzoate Traditional Name: 2-[(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)amino]benzoic acid methyl ester Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H20N4O3/c1-25-17(23)14-6-2-3-7-15(14)20-18(24)22-12-10-21(11-13-22)16-8-4-5-9-19-16/h2-9H,10-13H2,1H3,(H,20,24)/p+1