5-nitro-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]pyridin-2-olate

Systemtic Name: 5-nitro-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]pyridin-2-olate Openeye Name: 3-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-5-nitro-pyridin-2-olate CAS Name: 5-nitro-3-[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]-2-pyridinolate IUPAC Name: 3-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-5-nitropyridin-2-olate Traditional Name: 3-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-5-nitro-pyridin-2-olate Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC(=CN=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC(=CN=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O4/c23-17-16(10-15(11-19-17)22(25)26)18(24)20-14-6-8-21(9-7-14)12-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9,12H2,(H,19,23)(H,20,24)