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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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