8-methoxy-2-methyl-3-[(1E,3E)-penta-1,3-dienyl]-8aH-isoquinolin-2-ium-1-one

Systemtic Name: 8-methoxy-2-methyl-3-[(1E,3E)-penta-1,3-dienyl]-8aH-isoquinolin-2-ium-1-one Openeye Name: 8-methoxy-2-methyl-3-[(1E,3E)-penta-1,3-dienyl]-8aH-isoquinolin-2-ium-1-one CAS Name: 8-methoxy-2-methyl-3-[(1E,3E)-penta-1,3-dienyl]-8aH-isoquinolin-2-ium-1-one IUPAC Name: 8-methoxy-2-methyl-3-[(1E,3E)-penta-1,3-dienyl]-8aH-isoquinolin-2-ium-1-one Traditional Name: 8-methoxy-2-methyl-3-[(1E,3E)-penta-1,3-dienyl]-8aH-isoquinolin-2-ium-1-one Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC1=[N+](C(=O)C2C(=C1)C=CC=C2OC)C

Isomeric SMILES

C/C=C/C=C/C1=[N+](C(=O)C2C(=C1)C=CC=C2OC)C

InChI

InChI=1S/C16H18NO2/c1-4-5-6-9-13-11-12-8-7-10-14(19-3)15(12)16(18)17(13)2/h4-11,15H,1-3H3/q+1/b5-4+,9-6+