4-ethyl-2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propyl]phthalazin-1-one

Systemtic Name: 4-ethyl-2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propyl]phthalazin-1-one Openeye Name: 4-ethyl-2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propyl]phthalazin-1-one CAS Name: 4-ethyl-2-[3-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]propyl]-1-phthalazinone IUPAC Name: 4-ethyl-2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propyl]phthalazin-1-one Traditional Name: 4-ethyl-2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propyl]phthalazin-1-one Formula: C19H30N4O2+2 MolecularWeight: 346.4671

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C2=CC=CC=C21)CCC[NH+]3CC[NH+](CC3)CCO

Isomeric SMILES

CCC1=NN(C(=O)C2=CC=CC=C21)CCC[NH+]3CC[NH+](CC3)CCO

InChI

InChI=1S/C19H28N4O2/c1-2-18-16-6-3-4-7-17(16)19(25)23(20-18)9-5-8-21-10-12-22(13-11-21)14-15-24/h3-4,6-7,24H,2,5,8-15H2,1H3/p+2