ethanoic acid; 2-oxidanylidene-6-phenylmethoxy-3,4-dihydroisoquinolin-2-ium-1-one

Systemtic Name: ethanoic acid; 2-oxidanylidene-6-phenylmethoxy-3,4-dihydroisoquinolin-2-ium-1-one Openeye Name: acetic acid; 6-benzyloxy-2-oxo-3,4-dihydroisoquinolin-2-ium-1-one CAS Name: acetic acid; 2-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-ium-1-one IUPAC Name: acetic acid; 2-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-ium-1-one Traditional Name: acetic acid; 6-benzoxy-2-keto-3,4-dihydroisoquinolin-2-ium-1-one Formula: C18H18NO5+ MolecularWeight: 328.33922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1C[N+](=O)C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)O.C1C[N+](=O)C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C16H14NO3.C2H4O2/c18-16-15-7-6-14(10-13(15)8-9-17(16)19)20-11-12-4-2-1-3-5-12;1-2(3)4/h1-7,10H,8-9,11H2;1H3,(H,3,4)/q+1;