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

Systemtic Name: 6-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]-4H-1,4-benzoxazin-3-one Formula: C21H23N2O5+ MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4)OC

InChI

InChI=1S/C21H22N2O5/c1-26-19-8-13-5-6-23(10-15(13)9-20(19)27-2)11-17(24)14-3-4-18-16(7-14)22-21(25)12-28-18/h3-4,7-9H,5-6,10-12H2,1-2H3,(H,22,25)/p+1