2,6-dimethyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-4-one

Systemtic Name: 2,6-dimethyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Openeye Name: 2,6-dimethyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-4-one CAS Name: 2,6-dimethyl-3-(1-piperidin-1-iumylmethyl)-1H-quinolin-4-one IUPAC Name: 2,6-dimethyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Traditional Name: 2,6-dimethyl-3-(piperidin-1-ium-1-ylmethyl)-4-quinolone Formula: C17H23N2O+ MolecularWeight: 271.37732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCC3)C

InChI

InChI=1S/C17H22N2O/c1-12-6-7-16-14(10-12)17(20)15(13(2)18-16)11-19-8-4-3-5-9-19/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,20)/p+1