1-(4-methoxyphenyl)-4,6-bis(oxidanylidene)-5-[[(2-pyridin-1-ium-3-ylpiperidin-1-yl)amino]methylidene]pyrimidin-2-olate

Systemtic Name: 1-(4-methoxyphenyl)-4,6-bis(oxidanylidene)-5-[[(2-pyridin-1-ium-3-ylpiperidin-1-yl)amino]methylidene]pyrimidin-2-olate Openeye Name: 1-(4-methoxyphenyl)-4,6-dioxo-5-[[(2-pyridin-1-ium-3-yl-1-piperidyl)amino]methylene]pyrimidin-2-olate CAS Name: 1-(4-methoxyphenyl)-4,6-dioxo-5-[[[2-(3-pyridin-1-iumyl)-1-piperidinyl]amino]methylidene]-2-pyrimidinolate IUPAC Name: 1-(4-methoxyphenyl)-4,6-dioxo-5-[[(2-pyridin-1-ium-3-ylpiperidin-1-yl)amino]methylidene]pyrimidin-2-olate Traditional Name: 4,6-diketo-1-(4-methoxyphenyl)-5-[[(2-pyridin-1-ium-3-ylpiperidino)amino]methylene]pyrimidin-2-olate Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CNN3CCCCC3C4=C[NH+]=CC=C4)C(=O)N=C2[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=CNN3CCCCC3C4=C[NH+]=CC=C4)C(=O)N=C2[O-]

InChI

InChI=1S/C22H23N5O4/c1-31-17-9-7-16(8-10-17)27-21(29)18(20(28)25-22(27)30)14-24-26-12-3-2-6-19(26)15-5-4-11-23-13-15/h4-5,7-11,13-14,19,24H,2-3,6,12H2,1H3,(H,25,28,30)