dimethyl-[(1S)-2-[(8-nitroisoquinolin-5-yl)amino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(8-nitroisoquinolin-5-yl)amino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(8-nitro-5-isoquinolyl)amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[(8-nitro-5-isoquinolinyl)amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(8-nitroisoquinolin-5-yl)amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[(8-nitro-5-isoquinolyl)amino]-1-phenyl-ethyl]ammonium Formula: C19H21N4O2+ MolecularWeight: 337.39564

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2/c1-22(2)19(14-6-4-3-5-7-14)13-21-17-8-9-18(23(24)25)16-12-20-11-10-15(16)17/h3-12,19,21H,13H2,1-2H3/p+1/t19-/m1/s1