(E)-(3-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-(pyridin-3-ylamino)azanium chloride

Systemtic Name: (E)-(3-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-(pyridin-3-ylamino)azanium chloride Openeye Name: (E)-(3-tert-butyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-(3-pyridylamino)ammonium chloride CAS Name: (E)-(3-tert-butyl-6-oxo-1-cyclohexa-2,4-dienylidene)-(3-pyridinylamino)ammonium chloride IUPAC Name: (E)-(3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)-(pyridin-3-ylamino)azanium chloride Traditional Name: (E)-(3-tert-butyl-6-keto-cyclohexa-2,4-dien-1-ylidene)-(3-pyridylamino)ammonium chloride Formula: C15H18ClN3O MolecularWeight: 291.77592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=[NH+]NC2=CN=CC=C2)C(=O)C=C1.[Cl-]

Isomeric SMILES

CC(C)(C)C1=C/C(=[NH+]\NC2=CN=CC=C2)/C(=O)C=C1.[Cl-]

InChI

InChI=1S/C15H17N3O.ClH/c1-15(2,3)11-6-7-14(19)13(9-11)18-17-12-5-4-8-16-10-12;/h4-10,17H,1-3H3;1H/b18-13+;