[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-(7-chloranylquinolin-4-yl)azanium chloride

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-(7-chloranylquinolin-4-yl)azanium chloride Openeye Name: (7-chloro-4-quinolyl)-[2-oxo-2-(sec-butylamino)ethyl]ammonium chloride CAS Name: [2-(butan-2-ylamino)-2-oxoethyl]-(7-chloro-4-quinolinyl)ammonium chloride IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl]-(7-chloroquinolin-4-yl)azanium chloride Traditional Name: (7-chloro-4-quinolyl)-[2-keto-2-(sec-butylamino)ethyl]ammonium chloride Formula: C15H19Cl2N3O MolecularWeight: 328.23686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH2+]C1=C2C=CC(=CC2=NC=C1)Cl.[Cl-]

Isomeric SMILES

CCC(C)NC(=O)C[NH2+]C1=C2C=CC(=CC2=NC=C1)Cl.[Cl-]

InChI

InChI=1S/C15H18ClN3O.ClH/c1-3-10(2)19-15(20)9-18-13-6-7-17-14-8-11(16)4-5-12(13)14;/h4-8,10H,3,9H2,1-2H3,(H,17,18)(H,19,20);1H