[(1S)-1-(3,4-dimethoxyphenyl)-2-[(8-nitroisoquinolin-5-yl)amino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-[(8-nitroisoquinolin-5-yl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-[(8-nitro-5-isoquinolyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-[(8-nitro-5-isoquinolinyl)amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-[(8-nitroisoquinolin-5-yl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-[(8-nitro-5-isoquinolyl)amino]ethyl]-dimethyl-ammonium Formula: C21H25N4O4+ MolecularWeight: 397.4476

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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(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-24(2)19(14-5-8-20(28-3)21(11-14)29-4)13-23-17-6-7-18(25(26)27)16-12-22-10-9-15(16)17/h5-12,19,23H,13H2,1-4H3/p+1/t19-/m1/s1