2-azanyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-5-oxo-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-5-oxo-4-(3-pyridin-1-iumyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-5-oxo-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-5-keto-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C15H14N3O2+ MolecularWeight: 268.29056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=C[NH+]=CC=C3)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=C[NH+]=CC=C3)C(=O)C1

InChI

InChI=1S/C15H13N3O2/c16-7-10-13(9-3-2-6-18-8-9)14-11(19)4-1-5-12(14)20-15(10)17/h2-3,6,8,13H,1,4-5,17H2/p+1