5-methyl-11-oxidanylidene-8,9,10,10a-tetrahydro-7H-benzimidazolo[1,2-b]isoquinolin-5-ium-6-carbonitrile

Systemtic Name: 5-methyl-11-oxidanylidene-8,9,10,10a-tetrahydro-7H-benzimidazolo[1,2-b]isoquinolin-5-ium-6-carbonitrile Openeye Name: 5-methyl-11-oxo-8,9,10,10a-tetrahydro-7H-benzimidazolo[1,2-b]isoquinolin-5-ium-6-carbonitrile CAS Name: 5-methyl-11-oxo-8,9,10,10a-tetrahydro-7H-benzimidazolo[1,2-b]isoquinolin-5-ium-6-carbonitrile IUPAC Name: 5-methyl-11-oxo-8,9,10,10a-tetrahydro-7H-benzimidazolo[1,2-b]isoquinolin-5-ium-6-carbonitrile Traditional Name: 11-keto-5-methyl-8,9,10,10a-tetrahydro-7H-benzimidazol[1,2-b]isoquinolin-5-ium-6-carbonitrile Formula: C17H16N3O+ MolecularWeight: 278.32844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=C3CCCCC3C(=O)N2C4=CC=CC=C41)C#N

Isomeric SMILES

C[N+]1=C2C(=C3CCCCC3C(=O)N2C4=CC=CC=C41)C#N

InChI

InChI=1S/C17H16N3O/c1-19-14-8-4-5-9-15(14)20-16(19)13(10-18)11-6-2-3-7-12(11)17(20)21/h4-5,8-9,12H,2-3,6-7H2,1H3/q+1