4-(5-azanyl-1-oxidanidyl-pyridin-1-ium-2-yl)-2,2-dimethyl-chromene-6-carbonitrile hydrochloride

Systemtic Name: 4-(5-azanyl-1-oxidanidyl-pyridin-1-ium-2-yl)-2,2-dimethyl-chromene-6-carbonitrile hydrochloride Openeye Name: 4-(5-amino-1-oxido-pyridin-1-ium-2-yl)-2,2-dimethyl-chromene-6-carbonitrile hydrochloride CAS Name: 4-(5-amino-1-oxido-2-pyridin-1-iumyl)-2,2-dimethyl-1-benzopyran-6-carbonitrile hydrochloride IUPAC Name: 4-(5-amino-1-oxidopyridin-1-ium-2-yl)-2,2-dimethylchromene-6-carbonitrile hydrochloride Traditional Name: 4-(5-amino-1-oxido-pyridin-1-ium-2-yl)-2,2-dimethyl-chromene-6-carbonitrile hydrochloride Formula: C17H16ClN3O2 MolecularWeight: 329.78084

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(O1)C=CC(=C2)C#N)C3=[N+](C=C(C=C3)N)[O-])C.Cl

Isomeric SMILES

CC1(C=C(C2=C(O1)C=CC(=C2)C#N)C3=[N+](C=C(C=C3)N)[O-])C.Cl

InChI

InChI=1S/C17H15N3O2.ClH/c1-17(2)8-14(15-5-4-12(19)10-20(15)21)13-7-11(9-18)3-6-16(13)22-17;/h3-8,10H,19H2,1-2H3;1H