dimethyl-[(2R)-4-methyl-1-[(8-nitroisoquinolin-5-yl)amino]pentan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-4-methyl-1-[(8-nitroisoquinolin-5-yl)amino]pentan-2-yl]azanium Openeye Name: dimethyl-[(1R)-3-methyl-1-[[(8-nitro-5-isoquinolyl)amino]methyl]butyl]ammonium CAS Name: dimethyl-[(2R)-4-methyl-1-[(8-nitro-5-isoquinolinyl)amino]pentan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-4-methyl-1-[(8-nitroisoquinolin-5-yl)amino]pentan-2-yl]azanium Traditional Name: dimethyl-[(1R)-3-methyl-1-[[(8-nitro-5-isoquinolyl)amino]methyl]butyl]ammonium Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O2/c1-12(2)9-13(20(3)4)10-19-16-5-6-17(21(22)23)15-11-18-8-7-14(15)16/h5-8,11-13,19H,9-10H2,1-4H3/p+1/t13-/m1/s1