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

Systemtic Name: 3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-1H-benzo[h]quinolin-4-one Openeye Name: 3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-1H-benzo[h]quinolin-4-one CAS Name: 3-[[(2R)-2-ethyl-1-piperidin-1-iumyl]methyl]-2-methyl-1H-benzo[h]quinolin-4-one IUPAC Name: 3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-1H-benzo[h]quinolin-4-one Traditional Name: 3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-1H-benzo[h]quinolin-4-one Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(NC3=C(C2=O)C=CC4=CC=CC=C43)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O/c1-3-17-9-6-7-13-24(17)14-20-15(2)23-21-18-10-5-4-8-16(18)11-12-19(21)22(20)25/h4-5,8,10-12,17H,3,6-7,9,13-14H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1