[(1R)-1-(3-methoxyphenyl)-2-[(8-nitroisoquinolin-5-yl)amino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(3-methoxyphenyl)-2-[(8-nitroisoquinolin-5-yl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(3-methoxyphenyl)-2-[(8-nitro-5-isoquinolyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(3-methoxyphenyl)-2-[(8-nitro-5-isoquinolinyl)amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(3-methoxyphenyl)-2-[(8-nitroisoquinolin-5-yl)amino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(3-methoxyphenyl)-2-[(8-nitro-5-isoquinolyl)amino]ethyl]-dimethyl-ammonium Formula: C20H23N4O3+ MolecularWeight: 367.42162

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3/c1-23(2)20(14-5-4-6-15(11-14)27-3)13-22-18-7-8-19(24(25)26)17-12-21-10-9-16(17)18/h4-12,20,22H,13H2,1-3H3/p+1/t20-/m0/s1