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

Systemtic Name: dimethyl-[2-[[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-2-nitro-phenyl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[4-(3-methyl-4-oxo-phthalazin-1-yl)-2-nitro-anilino]ethyl]ammonium CAS Name: dimethyl-[2-[4-(3-methyl-4-oxo-1-phthalazinyl)-2-nitroanilino]ethyl]ammonium IUPAC Name: dimethyl-[2-[4-(3-methyl-4-oxophthalazin-1-yl)-2-nitroanilino]ethyl]azanium Traditional Name: 2-[4-(4-keto-3-methyl-phthalazin-1-yl)-2-nitro-anilino]ethyl-dimethyl-ammonium Formula: C19H22N5O3+ MolecularWeight: 368.40968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3/c1-22(2)11-10-20-16-9-8-13(12-17(16)24(26)27)18-14-6-4-5-7-15(14)19(25)23(3)21-18/h4-9,12,20H,10-11H2,1-3H3/p+1