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

Systemtic Name: 6-butyl-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 6-butyl-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 6-butyl-2-methyl-3-[(4-methyl-1-piperidin-1-iumyl)methyl]-1H-quinolin-4-one IUPAC Name: 6-butyl-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 6-butyl-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-quinolone Formula: C21H31N2O+ MolecularWeight: 327.48364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCC(CC3)C)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCC(CC3)C)C

InChI

InChI=1S/C21H30N2O/c1-4-5-6-17-7-8-20-18(13-17)21(24)19(16(3)22-20)14-23-11-9-15(2)10-12-23/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,22,24)/p+1