1-methyl-4-oxidanyl-1-(1-pyrimidin-4-yl-2H-1,8-naphthyridin-3-yl)piperidin-1-ium-2-one

Systemtic Name: 1-methyl-4-oxidanyl-1-(1-pyrimidin-4-yl-2H-1,8-naphthyridin-3-yl)piperidin-1-ium-2-one Openeye Name: 4-hydroxy-1-methyl-1-(1-pyrimidin-4-yl-2H-1,8-naphthyridin-3-yl)piperidin-1-ium-2-one CAS Name: 4-hydroxy-1-methyl-1-[1-(4-pyrimidinyl)-2H-1,8-naphthyridin-3-yl]-2-piperidin-1-iumone IUPAC Name: 4-hydroxy-1-methyl-1-(1-pyrimidin-4-yl-2H-1,8-naphthyridin-3-yl)piperidin-1-ium-2-one Traditional Name: 4-hydroxy-1-methyl-1-[1-(4-pyrimidyl)-2H-1,8-naphthyridin-3-yl]piperidin-1-ium-2-one Formula: C18H20N5O2+ MolecularWeight: 338.3837

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1=O)O)C2=CC3=C(N=CC=C3)N(C2)C4=NC=NC=C4

Isomeric SMILES

C[N+]1(CCC(CC1=O)O)C2=CC3=C(N=CC=C3)N(C2)C4=NC=NC=C4

InChI

InChI=1S/C18H20N5O2/c1-23(8-5-15(24)10-17(23)25)14-9-13-3-2-6-20-18(13)22(11-14)16-4-7-19-12-21-16/h2-4,6-7,9,12,15,24H,5,8,10-11H2,1H3/q+1