3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one

Systemtic Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one Openeye Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-6-isobutoxy-2-methyl-1H-quinolin-4-one CAS Name: 3-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one IUPAC Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one Traditional Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-6-isobutoxy-2-methyl-4-quinolone Formula: C22H33N2O2+ MolecularWeight: 357.50962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(NC3=C(C2=O)C=C(C=C3)OCC(C)C)C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C(NC3=C(C2=O)C=C(C=C3)OCC(C)C)C

InChI

InChI=1S/C22H32N2O2/c1-5-17-8-6-7-11-24(17)13-20-16(4)23-21-10-9-18(26-14-15(2)3)12-19(21)22(20)25/h9-10,12,15,17H,5-8,11,13-14H2,1-4H3,(H,23,25)/p+1/t17-/m0/s1