2-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-benzo[h]quinolin-4-one

Systemtic Name: 2-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-benzo[h]quinolin-4-one Openeye Name: 2-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-benzo[h]quinolin-4-one CAS Name: 2-methyl-3-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1H-benzo[h]quinolin-4-one IUPAC Name: 2-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-benzo[h]quinolin-4-one Traditional Name: 2-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-benzo[h]quinolin-4-one Formula: C21H25N2O+ MolecularWeight: 321.436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(NC3=C(C2=O)C=CC4=CC=CC=C43)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(NC3=C(C2=O)C=CC4=CC=CC=C43)C

InChI

InChI=1S/C21H24N2O/c1-14-7-5-6-12-23(14)13-19-15(2)22-20-17-9-4-3-8-16(17)10-11-18(20)21(19)24/h3-4,8-11,14H,5-7,12-13H2,1-2H3,(H,22,24)/p+1/t14-/m0/s1