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

Systemtic Name: (E)-(3-hexyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-(pyridin-3-ylamino)azanium chloride Openeye Name: (E)-(3-hexyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-(3-pyridylamino)ammonium chloride CAS Name: (E)-(3-hexyl-6-oxo-1-cyclohexa-2,4-dienylidene)-(3-pyridinylamino)ammonium chloride IUPAC Name: (E)-(3-hexyl-6-oxocyclohexa-2,4-dien-1-ylidene)-(pyridin-3-ylamino)azanium chloride Traditional Name: (E)-(3-hexyl-6-keto-cyclohexa-2,4-dien-1-ylidene)-(3-pyridylamino)ammonium chloride Formula: C17H22ClN3O MolecularWeight: 319.82908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=[NH+]NC2=CN=CC=C2)C(=O)C=C1.[Cl-]

Isomeric SMILES

CCCCCCC1=C/C(=[NH+]\NC2=CN=CC=C2)/C(=O)C=C1.[Cl-]

InChI

InChI=1S/C17H21N3O.ClH/c1-2-3-4-5-7-14-9-10-17(21)16(12-14)20-19-15-8-6-11-18-13-15;/h6,8-13,19H,2-5,7H2,1H3;1H/b20-16+;