2-methyl-4-[4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-phenyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-phenyl]phthalazin-1-one Openeye Name: 2-methyl-4-[4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-phenyl]phthalazin-1-one CAS Name: 2-methyl-4-[4-[2-(4-morpholin-4-iumyl)ethylamino]-3-nitrophenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(2-morpholin-4-ium-4-ylethylamino)-3-nitrophenyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-phenyl]phthalazin-1-one Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NCC[NH+]4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NCC[NH+]4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-24-21(27)17-5-3-2-4-16(17)20(23-24)15-6-7-18(19(14-15)26(28)29)22-8-9-25-10-12-30-13-11-25/h2-7,14,22H,8-13H2,1H3/p+1