(5E)-1-methyl-5-[(1-methylpyridin-1-ium-3-yl)methylidene]-3a,6,7,7a-tetrahydroindol-4-one

Systemtic Name: (5E)-1-methyl-5-[(1-methylpyridin-1-ium-3-yl)methylidene]-3a,6,7,7a-tetrahydroindol-4-one Openeye Name: (5E)-1-methyl-5-[(1-methylpyridin-1-ium-3-yl)methylene]-3a,6,7,7a-tetrahydroindol-4-one CAS Name: (5E)-1-methyl-5-[(1-methyl-3-pyridin-1-iumyl)methylidene]-3a,6,7,7a-tetrahydroindol-4-one IUPAC Name: (5E)-1-methyl-5-[(1-methylpyridin-1-ium-3-yl)methylidene]-3a,6,7,7a-tetrahydroindol-4-one Traditional Name: (5E)-1-methyl-5-[(1-methylpyridin-1-ium-3-yl)methylene]-3a,6,7,7a-tetrahydroindol-4-one Formula: C16H19N2O+ MolecularWeight: 255.33486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2C1CCC(=CC3=C[N+](=CC=C3)C)C2=O

Isomeric SMILES

CN1C=CC2C1CC/C(=C\C3=C[N+](=CC=C3)C)/C2=O

InChI

InChI=1S/C16H19N2O/c1-17-8-3-4-12(11-17)10-13-5-6-15-14(16(13)19)7-9-18(15)2/h3-4,7-11,14-15H,5-6H2,1-2H3/q+1/b13-10+