2-methyl-4-[3-(1-methylpiperazin-1-ium-1-yl)-2-oxidanyl-propoxy]phthalazin-1-one

Systemtic Name: 2-methyl-4-[3-(1-methylpiperazin-1-ium-1-yl)-2-oxidanyl-propoxy]phthalazin-1-one Openeye Name: 4-[2-hydroxy-3-(1-methylpiperazin-1-ium-1-yl)propoxy]-2-methyl-phthalazin-1-one CAS Name: 4-[2-hydroxy-3-(1-methyl-1-piperazin-1-iumyl)propoxy]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-hydroxy-3-(1-methylpiperazin-1-ium-1-yl)propoxy]-2-methylphthalazin-1-one Traditional Name: 4-[2-hydroxy-3-(1-methylpiperazin-1-ium-1-yl)propoxy]-2-methyl-phthalazin-1-one Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)OCC(C[N+]3(CCNCC3)C)O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)OCC(C[N+]3(CCNCC3)C)O

InChI

InChI=1S/C17H25N4O3/c1-20-17(23)15-6-4-3-5-14(15)16(19-20)24-12-13(22)11-21(2)9-7-18-8-10-21/h3-6,13,18,22H,7-12H2,1-2H3/q+1