(3R)-3-[(2R)-butan-2-yl]-4-methyl-6-oxidanyl-2,3-dihydropyrrolo[3,4-b]quinolin-4-ium-1-one

Systemtic Name: (3R)-3-[(2R)-butan-2-yl]-4-methyl-6-oxidanyl-2,3-dihydropyrrolo[3,4-b]quinolin-4-ium-1-one Openeye Name: (3R)-6-hydroxy-4-methyl-3-[(1R)-1-methylpropyl]-2,3-dihydropyrrolo[3,4-b]quinolin-4-ium-1-one CAS Name: (3R)-3-[(2R)-butan-2-yl]-6-hydroxy-4-methyl-2,3-dihydropyrrolo[3,4-b]quinolin-4-ium-1-one IUPAC Name: (3R)-3-[(2R)-butan-2-yl]-6-hydroxy-4-methyl-2,3-dihydropyrrolo[3,4-b]quinolin-4-ium-1-one Traditional Name: (3R)-6-hydroxy-4-methyl-3-[(1R)-1-methylpropyl]-2,3-dihydropyrrolo[3,4-b]quinolin-4-ium-1-one Formula: C16H19N2O2+ MolecularWeight: 271.33426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C2=C(C=C3C=CC(=CC3=[N+]2C)O)C(=O)N1

Isomeric SMILES

CC[C@@H](C)[C@@H]1C2=C(C=C3C=CC(=CC3=[N+]2C)O)C(=O)N1

InChI

InChI=1S/C16H18N2O2/c1-4-9(2)14-15-12(16(20)17-14)7-10-5-6-11(19)8-13(10)18(15)3/h5-9,14H,4H2,1-3H3,(H,17,20)/p+1/t9-,14-/m1/s1