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

Systemtic Name: 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-propoxy-1H-quinolin-4-one Openeye Name: 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-propoxy-1H-quinolin-4-one CAS Name: 2-methyl-3-[(4-methyl-1-piperidin-1-iumyl)methyl]-6-propoxy-1H-quinolin-4-one IUPAC Name: 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-propoxy-1H-quinolin-4-one Traditional Name: 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-propoxy-4-quinolone Formula: C20H29N2O2+ MolecularWeight: 329.45646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCC(CC3)C)C

Isomeric SMILES

CCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCC(CC3)C)C

InChI

InChI=1S/C20H28N2O2/c1-4-11-24-16-5-6-19-17(12-16)20(23)18(15(3)21-19)13-22-9-7-14(2)8-10-22/h5-6,12,14H,4,7-11,13H2,1-3H3,(H,21,23)/p+1