2-azanyl-7,7-dimethyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-7,7-dimethyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-7,7-dimethyl-5-oxo-4-pyridin-1-ium-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-7,7-dimethyl-5-oxo-4-(3-pyridin-1-iumyl)-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-7,7-dimethyl-5-oxo-4-pyridin-1-ium-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-5-keto-7,7-dimethyl-4-pyridin-1-ium-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C17H18N3O2+ MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C[NH+]=CC=C3)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C[NH+]=CC=C3)C(=O)C1)C

InChI

InChI=1S/C17H17N3O2/c1-17(2)6-12(21)15-13(7-17)22-16(19)11(8-18)14(15)10-4-3-5-20-9-10/h3-5,9,14H,6-7,19H2,1-2H3/p+1