6-[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetyl]-4H-1,4-benzoxazin-3-one Formula: C19H19N2O3+ MolecularWeight: 323.36576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C19H18N2O3/c22-17(11-21-8-7-13-3-1-2-4-15(13)10-21)14-5-6-18-16(9-14)20-19(23)12-24-18/h5-10H,1-4,11-12H2/p+1