N4-(4-methylsulfanylisoquinolin-5-yl)cyclohexane-1,4-diamine hydrochloride

Systemtic Name: N4-(4-methylsulfanylisoquinolin-5-yl)cyclohexane-1,4-diamine hydrochloride Openeye Name: N4-(4-methylsulfanyl-5-isoquinolyl)cyclohexane-1,4-diamine hydrochloride CAS Name: N4-[4-(methylthio)-5-isoquinolinyl]cyclohexane-1,4-diamine hydrochloride IUPAC Name: 4-N-(4-methylsulfanylisoquinolin-5-yl)cyclohexane-1,4-diamine hydrochloride Traditional Name: (4-aminocyclohexyl)-[4-(methylthio)-5-isoquinolyl]amine hydrochloride Formula: C16H22ClN3S MolecularWeight: 323.88398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=CN=C1)C=CC=C2NC3CCC(CC3)N.Cl

Isomeric SMILES

CSC1=C2C(=CN=C1)C=CC=C2NC3CCC(CC3)N.Cl

InChI

InChI=1S/C16H21N3S.ClH/c1-20-15-10-18-9-11-3-2-4-14(16(11)15)19-13-7-5-12(17)6-8-13;/h2-4,9-10,12-13,19H,5-8,17H2,1H3;1H