dimethyl-[(1R)-2-[(8-nitroisoquinolin-5-yl)amino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[(8-nitroisoquinolin-5-yl)amino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[(8-nitro-5-isoquinolyl)amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[(8-nitro-5-isoquinolinyl)amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[(8-nitroisoquinolin-5-yl)amino]-1-thiophen-2-ylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[(8-nitro-5-isoquinolyl)amino]-1-(2-thienyl)ethyl]ammonium Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](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/p+1/t16-/m1/s1