3-[2-(hydroxymethyl)piperidin-1-ium-1-yl]-2-oxidanyl-1-phenyl-1,8-naphthyridin-4-one

Systemtic Name: 3-[2-(hydroxymethyl)piperidin-1-ium-1-yl]-2-oxidanyl-1-phenyl-1,8-naphthyridin-4-one Openeye Name: 2-hydroxy-3-[2-(hydroxymethyl)piperidin-1-ium-1-yl]-1-phenyl-1,8-naphthyridin-4-one CAS Name: 2-hydroxy-3-[2-(hydroxymethyl)-1-piperidin-1-iumyl]-1-phenyl-1,8-naphthyridin-4-one IUPAC Name: 2-hydroxy-3-[2-(hydroxymethyl)piperidin-1-ium-1-yl]-1-phenyl-1,8-naphthyridin-4-one Traditional Name: 2-hydroxy-3-(2-methylolpiperidin-1-ium-1-yl)-1-phenyl-1,8-naphthyridin-4-one Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CO)C2=C(N(C3=C(C2=O)C=CC=N3)C4=CC=CC=C4)O

Isomeric SMILES

C1CC[NH+](C(C1)CO)C2=C(N(C3=C(C2=O)C=CC=N3)C4=CC=CC=C4)O

InChI

InChI=1S/C20H21N3O3/c24-13-15-9-4-5-12-22(15)17-18(25)16-10-6-11-21-19(16)23(20(17)26)14-7-2-1-3-8-14/h1-3,6-8,10-11,15,24,26H,4-5,9,12-13H2/p+1