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

Systemtic Name: dimethyl-[2-[(8-nitroisoquinolin-5-yl)amino]ethyl]azanium Openeye Name: dimethyl-[2-[(8-nitro-5-isoquinolyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[(8-nitro-5-isoquinolinyl)amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(8-nitroisoquinolin-5-yl)amino]ethyl]azanium Traditional Name: dimethyl-[2-[(8-nitro-5-isoquinolyl)amino]ethyl]ammonium Formula: C13H17N4O2+ MolecularWeight: 261.29968

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2/c1-16(2)8-7-15-12-3-4-13(17(18)19)11-9-14-6-5-10(11)12/h3-6,9,15H,7-8H2,1-2H3/p+1