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

Systemtic Name: dimethyl-[3-[[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-2-nitro-phenyl]amino]propyl]azanium Openeye Name: dimethyl-[3-[4-(3-methyl-4-oxo-phthalazin-1-yl)-2-nitro-anilino]propyl]ammonium CAS Name: dimethyl-[3-[4-(3-methyl-4-oxo-1-phthalazinyl)-2-nitroanilino]propyl]ammonium IUPAC Name: dimethyl-[3-[4-(3-methyl-4-oxophthalazin-1-yl)-2-nitroanilino]propyl]azanium Traditional Name: 3-[4-(4-keto-3-methyl-phthalazin-1-yl)-2-nitro-anilino]propyl-dimethyl-ammonium Formula: C20H24N5O3+ MolecularWeight: 382.43626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NCCC[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NCCC[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O3/c1-23(2)12-6-11-21-17-10-9-14(13-18(17)25(27)28)19-15-7-4-5-8-16(15)20(26)24(3)22-19/h4-5,7-10,13,21H,6,11-12H2,1-3H3/p+1