(8E)-3-azanyl-4-oxidanylidene-8-(phenylmethylidene)-4a,5,6,7-tetrahydroquinoxalin-4-ium-2-carbonitrile

Systemtic Name: (8E)-3-azanyl-4-oxidanylidene-8-(phenylmethylidene)-4a,5,6,7-tetrahydroquinoxalin-4-ium-2-carbonitrile Openeye Name: (8E)-3-amino-8-benzylidene-4-oxo-4a,5,6,7-tetrahydroquinoxalin-4-ium-2-carbonitrile CAS Name: (8E)-3-amino-4-oxo-8-(phenylmethylene)-4a,5,6,7-tetrahydroquinoxalin-4-ium-2-carbonitrile IUPAC Name: (8E)-3-amino-8-benzylidene-4-oxo-4a,5,6,7-tetrahydroquinoxalin-4-ium-2-carbonitrile Traditional Name: (8E)-3-amino-8-benzal-4-keto-4a,5,6,7-tetrahydroquinoxalin-4-ium-2-carbonitrile Formula: C16H15N4O+ MolecularWeight: 279.3165

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=NC(=C([N+]2=O)N)C#N)C(=CC3=CC=CC=C3)C1

Isomeric SMILES

C1CC2C(=NC(=C([N+]2=O)N)C#N)/C(=C/C3=CC=CC=C3)/C1

InChI

InChI=1S/C16H15N4O/c17-10-13-16(18)20(21)14-8-4-7-12(15(14)19-13)9-11-5-2-1-3-6-11/h1-3,5-6,9,14H,4,7-8,18H2/q+1/b12-9+