11-oxidanyl-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile

Systemtic Name: 11-oxidanyl-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile Openeye Name: 11-hydroxy-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile CAS Name: 11-hydroxy-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile IUPAC Name: 11-hydroxy-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile Traditional Name: 11-hydroxy-7,8,9,10-tetrahydro-5H-benzimidazol[1,2-b]isoquinolin-12-ium-6-carbonitrile Formula: C16H14N3O+ MolecularWeight: 264.30186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([N+]3=C(C(=C2C1)C#N)NC4=CC=CC=C43)O

Isomeric SMILES

C1CCC2=C([N+]3=C(C(=C2C1)C#N)NC4=CC=CC=C43)O

InChI

InChI=1S/C16H13N3O/c17-9-12-10-5-1-2-6-11(10)16(20)19-14-8-4-3-7-13(14)18-15(12)19/h3-4,7-8H,1-2,5-6H2,(H,18,20)/p+1