3-(4-methoxyphenyl)-2-methyl-8aH-isoquinolin-2-ium-1-one

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-8aH-isoquinolin-2-ium-1-one Openeye Name: 3-(4-methoxyphenyl)-2-methyl-8aH-isoquinolin-2-ium-1-one CAS Name: 3-(4-methoxyphenyl)-2-methyl-8aH-isoquinolin-2-ium-1-one IUPAC Name: 3-(4-methoxyphenyl)-2-methyl-8aH-isoquinolin-2-ium-1-one Traditional Name: 3-(4-methoxyphenyl)-2-methyl-8aH-isoquinolin-2-ium-1-one Formula: C17H16NO2+ MolecularWeight: 266.31444

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C2C=CC=CC2C1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[N+]1=C(C=C2C=CC=CC2C1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H16NO2/c1-18-16(12-7-9-14(20-2)10-8-12)11-13-5-3-4-6-15(13)17(18)19/h3-11,15H,1-2H3/q+1