(3S,4aR)-3-butyl-1-pyridin-2-yl-4aH-1,5-naphthyridin-1-ium-2,4-dione

Systemtic Name: (3S,4aR)-3-butyl-1-pyridin-2-yl-4aH-1,5-naphthyridin-1-ium-2,4-dione Openeye Name: (3S,4aR)-3-butyl-1-(2-pyridyl)-4aH-1,5-naphthyridin-1-ium-2,4-dione CAS Name: (3S,4aR)-3-butyl-1-(2-pyridinyl)-4aH-1,5-naphthyridin-1-ium-2,4-dione IUPAC Name: (3S,4aR)-3-butyl-1-pyridin-2-yl-4aH-1,5-naphthyridin-1-ium-2,4-dione Traditional Name: (3S,4aR)-3-butyl-1-(2-pyridyl)-4aH-1,5-naphthyridin-1-ium-2,4-quinone Formula: C17H18N3O2+ MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)C2C(=[N+](C1=O)C3=CC=CC=N3)C=CC=N2

Isomeric SMILES

CCCC[C@H]1C(=O)[C@H]2C(=[N+](C1=O)C3=CC=CC=N3)C=CC=N2

InChI

InChI=1S/C17H18N3O2/c1-2-3-7-12-16(21)15-13(8-6-11-19-15)20(17(12)22)14-9-4-5-10-18-14/h4-6,8-12,15H,2-3,7H2,1H3/q+1/t12-,15+/m0/s1