2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-4-one

Systemtic Name: 2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Openeye Name: 6-isobutoxy-2-methyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-4-one CAS Name: 2-methyl-6-(2-methylpropoxy)-3-(1-piperidin-1-iumylmethyl)-1H-quinolin-4-one IUPAC Name: 2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Traditional Name: 6-isobutoxy-2-methyl-3-(piperidin-1-ium-1-ylmethyl)-4-quinolone Formula: C20H29N2O2+ MolecularWeight: 329.45646

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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+]3CCCCC3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC(C)C)C[NH+]3CCCCC3

InChI

InChI=1S/C20H28N2O2/c1-14(2)13-24-16-7-8-19-17(11-16)20(23)18(15(3)21-19)12-22-9-5-4-6-10-22/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3,(H,21,23)/p+1