(1R)-N,N-dimethyl-N'-(8-nitroisoquinolin-5-yl)-1-thiophen-2-yl-ethane-1,2-diamine

Systemtic Name: (1R)-N,N-dimethyl-N'-(8-nitroisoquinolin-5-yl)-1-thiophen-2-yl-ethane-1,2-diamine Openeye Name: (1R)-N,N-dimethyl-N'-(8-nitro-5-isoquinolyl)-1-(2-thienyl)ethane-1,2-diamine CAS Name: (1R)-N,N-dimethyl-N'-(8-nitro-5-isoquinolinyl)-1-thiophen-2-ylethane-1,2-diamine IUPAC Name: (1R)-N,N-dimethyl-N'-(8-nitroisoquinolin-5-yl)-1-thiophen-2-ylethane-1,2-diamine Traditional Name: dimethyl-[(1R)-2-[(8-nitro-5-isoquinolyl)amino]-1-(2-thienyl)ethyl]amine Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN(C)[C@H](CNC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H18N4O2S/c1-20(2)16(17-4-3-9-24-17)11-19-14-5-6-15(21(22)23)13-10-18-8-7-12(13)14/h3-10,16,19H,11H2,1-2H3/t16-/m1/s1