2,8-dimethyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2,8-dimethyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2,8-dimethyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2,8-dimethyl-3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2,8-dimethyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2,8-dimethyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C18H25N2O+ MolecularWeight: 285.4039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(NC3=C(C2=O)C=CC=C3C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(NC3=C(C2=O)C=CC=C3C)C

InChI

InChI=1S/C18H24N2O/c1-12-6-5-9-20(10-12)11-16-14(3)19-17-13(2)7-4-8-15(17)18(16)21/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,19,21)/p+1/t12-/m0/s1