6-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]carbonyl-2-methyl-pyridazin-3-one

Systemtic Name: 6-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]carbonyl-2-methyl-pyridazin-3-one Openeye Name: 6-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidine-1-carbonyl]-2-methyl-pyridazin-3-one CAS Name: 6-[[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidinyl]-oxomethyl]-2-methyl-3-pyridazinone IUPAC Name: 6-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one Traditional Name: 6-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidine-1-carbonyl]-2-methyl-pyridazin-3-one Formula: C22H29N4O4+ MolecularWeight: 413.49006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)N2CCCC(C2)[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)N2CCC[C@@H](C2)[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C22H28N4O4/c1-24-21(27)7-6-18(23-24)22(28)26-9-4-5-17(14-26)25-10-8-15-11-19(29-2)20(30-3)12-16(15)13-25/h6-7,11-12,17H,4-5,8-10,13-14H2,1-3H3/p+1/t17-/m0/s1