[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium chloride

Systemtic Name: [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium chloride Openeye Name: [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-pyridylidene]methyl-oxo-ammonium chloride CAS Name: [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-pyridinylidene]methyl-oxoammonium chloride IUPAC Name: [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridin-4-ylidene]methyl-oxoazanium chloride Traditional Name: [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-pyridylidene]methyl-keto-ammonium chloride Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3C=CC(=C[NH+]=O)C=C3.[Cl-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C=CC(=C[NH+]=O)C=C3.[Cl-]

InChI

InChI=1S/C17H17N3O2.ClH/c21-17(13-19-8-5-14(6-9-19)11-18-22)20-10-7-15-3-1-2-4-16(15)12-20;/h1-6,8-9,11H,7,10,12-13H2;1H