dimethyl-[2-[[2-nitro-4-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[2-nitro-4-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[2-nitro-4-(4-oxo-3H-phthalazin-1-yl)anilino]ethyl]ammonium CAS Name: dimethyl-[2-[2-nitro-4-(4-oxo-3H-phthalazin-1-yl)anilino]ethyl]ammonium IUPAC Name: dimethyl-[2-[2-nitro-4-(4-oxo-3H-phthalazin-1-yl)anilino]ethyl]azanium Traditional Name: 2-[4-(4-keto-3H-phthalazin-1-yl)-2-nitro-anilino]ethyl-dimethyl-ammonium Formula: C18H20N5O3+ MolecularWeight: 354.3831

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O3/c1-22(2)10-9-19-15-8-7-12(11-16(15)23(25)26)17-13-5-3-4-6-14(13)18(24)21-20-17/h3-8,11,19H,9-10H2,1-2H3,(H,21,24)/p+1