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

Systemtic Name: 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-(2-methylpropoxy)-1H-quinolin-4-one Openeye Name: 6-isobutoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 2-methyl-3-[(4-methyl-1-piperidin-1-iumyl)methyl]-6-(2-methylpropoxy)-1H-quinolin-4-one IUPAC Name: 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-(2-methylpropoxy)-1H-quinolin-4-one Traditional Name: 6-isobutoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-quinolone Formula: C21H31N2O2+ MolecularWeight: 343.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)OCC(C)C)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)OCC(C)C)C

InChI

InChI=1S/C21H30N2O2/c1-14(2)13-25-17-5-6-20-18(11-17)21(24)19(16(4)22-20)12-23-9-7-15(3)8-10-23/h5-6,11,14-15H,7-10,12-13H2,1-4H3,(H,22,24)/p+1