3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2,5,8-trimethyl-1H-quinolin-4-one

Systemtic Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2,5,8-trimethyl-1H-quinolin-4-one Openeye Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2,5,8-trimethyl-1H-quinolin-4-one CAS Name: 3-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-2,5,8-trimethyl-1H-quinolin-4-one IUPAC Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2,5,8-trimethyl-1H-quinolin-4-one Traditional Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2,5,8-trimethyl-4-quinolone Formula: C20H29N2O+ MolecularWeight: 313.45706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O/c1-5-16-8-6-7-11-22(16)12-17-15(4)21-19-14(3)10-9-13(2)18(19)20(17)23/h9-10,16H,5-8,11-12H2,1-4H3,(H,21,23)/p+1/t16-/m0/s1