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

Systemtic Name: methyl-[[2-methyl-6-(2-methylpropoxy)-4-oxidanylidene-1H-quinolin-3-yl]methyl]-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (6-isobutoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: methyl-[[2-methyl-6-(2-methylpropoxy)-4-oxo-1H-quinolin-3-yl]methyl]-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: methyl-[[2-methyl-6-(2-methylpropoxy)-4-oxo-1H-quinolin-3-yl]methyl]-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (6-isobutoxy-4-keto-2-methyl-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C22H35N3O2+2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC(C)C)C[NH+](C)C3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC(C)C)C[NH+](C)C3CC[NH+](CC3)C

InChI

InChI=1S/C22H33N3O2/c1-15(2)14-27-18-6-7-21-19(12-18)22(26)20(16(3)23-21)13-25(5)17-8-10-24(4)11-9-17/h6-7,12,15,17H,8-11,13-14H2,1-5H3,(H,23,26)/p+2