3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxidanyl-1H-quinolin-4-one

Systemtic Name: 3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxidanyl-1H-quinolin-4-one Openeye Name: 2-hydroxy-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-hydroxy-3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-hydroxy-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-hydroxy-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(NC3=CC=CC=C3C2=O)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(NC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C16H20N2O2/c1-11-5-4-8-18(9-11)10-13-15(19)12-6-2-3-7-14(12)17-16(13)20/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,17,19,20)/p+1/t11-/m0/s1