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

Systemtic Name: 2-methyl-6-(2-methylpropoxy)-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Openeye Name: 6-isobutoxy-2-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-4-one CAS Name: 2-methyl-6-(2-methylpropoxy)-3-(1-pyrrolidin-1-iumylmethyl)-1H-quinolin-4-one IUPAC Name: 2-methyl-6-(2-methylpropoxy)-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Traditional Name: 6-isobutoxy-2-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-4-quinolone Formula: C19H27N2O2+ MolecularWeight: 315.42988

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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+]3CCCC3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC(C)C)C[NH+]3CCCC3

InChI

InChI=1S/C19H26N2O2/c1-13(2)12-23-15-6-7-18-16(10-15)19(22)17(14(3)20-18)11-21-8-4-5-9-21/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3,(H,20,22)/p+1