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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(NC3=CC=CC=C3C2=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O/c1-3-14-8-6-7-11-20(14)12-16-13(2)19-17-10-5-4-9-15(17)18(16)21/h4-5,9-10,14H,3,6-8,11-12H2,1-2H3,(H,19,21)/p+1/t14-/m0/s1