4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-oxoethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]-1,3-dihydroquinoxalin-2-one Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)N3CC(=O)NC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)N3CC(=O)NC4=CC=CC=C43)OC

InChI

InChI=1S/C21H23N3O4/c1-27-18-9-14-7-8-23(11-15(14)10-19(18)28-2)13-21(26)24-12-20(25)22-16-5-3-4-6-17(16)24/h3-6,9-10H,7-8,11-13H2,1-2H3,(H,22,25)/p+1