(1R)-N'-(1-chloranylisoquinolin-3-yl)-N,N-dimethyl-1-thiophen-2-yl-ethane-1,2-diamine

Systemtic Name: (1R)-N'-(1-chloranylisoquinolin-3-yl)-N,N-dimethyl-1-thiophen-2-yl-ethane-1,2-diamine Openeye Name: (1R)-N'-(1-chloro-3-isoquinolyl)-N,N-dimethyl-1-(2-thienyl)ethane-1,2-diamine CAS Name: (1R)-N'-(1-chloro-3-isoquinolinyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine IUPAC Name: (1R)-N'-(1-chloroisoquinolin-3-yl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine Traditional Name: [(1R)-2-[(1-chloro-3-isoquinolyl)amino]-1-(2-thienyl)ethyl]-dimethyl-amine Formula: C17H18ClN3S MolecularWeight: 331.86292

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC1=CC2=CC=CC=C2C(=N1)Cl)C3=CC=CS3

Isomeric SMILES

CN(C)[C@H](CNC1=CC2=CC=CC=C2C(=N1)Cl)C3=CC=CS3

InChI

InChI=1S/C17H18ClN3S/c1-21(2)14(15-8-5-9-22-15)11-19-16-10-12-6-3-4-7-13(12)17(18)20-16/h3-10,14H,11H2,1-2H3,(H,19,20)/t14-/m1/s1