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

Systemtic Name: 4-[4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-[2-(4-morpholin-4-iumyl)ethylamino]-3-nitrophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(2-morpholin-4-ium-4-ylethylamino)-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C20H22N5O4+ MolecularWeight: 396.41978

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4/c26-20-16-4-2-1-3-15(16)19(22-23-20)14-5-6-17(18(13-14)25(27)28)21-7-8-24-9-11-29-12-10-24/h1-6,13,21H,7-12H2,(H,23,26)/p+1