2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2,6-dimethyl-3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C18H25N2O+ MolecularWeight: 285.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(NC3=C(C2=O)C=C(C=C3)C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(NC3=C(C2=O)C=C(C=C3)C)C

InChI

InChI=1S/C18H24N2O/c1-12-6-7-17-15(9-12)18(21)16(14(3)19-17)11-20-8-4-5-13(2)10-20/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,19,21)/p+1/t13-/m0/s1