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

Systemtic Name: 4-[3-[4-(2-azanylethyl)-2-oxidanyl-morpholin-4-ium-4-yl]propoxy]-2-methyl-phthalazin-1-one Openeye Name: 4-[3-[4-(2-aminoethyl)-2-hydroxy-morpholin-4-ium-4-yl]propoxy]-2-methyl-phthalazin-1-one CAS Name: 4-[3-[4-(2-aminoethyl)-2-hydroxy-4-morpholin-4-iumyl]propoxy]-2-methyl-1-phthalazinone IUPAC Name: 4-[3-[4-(2-aminoethyl)-2-hydroxymorpholin-4-ium-4-yl]propoxy]-2-methylphthalazin-1-one Traditional Name: 4-[3-[4-(2-aminoethyl)-2-hydroxy-morpholin-4-ium-4-yl]propoxy]-2-methyl-phthalazin-1-one Formula: C18H27N4O4+ MolecularWeight: 363.43138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)OCCC[N+]3(CCOC(C3)O)CCN

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)OCCC[N+]3(CCOC(C3)O)CCN

InChI

InChI=1S/C18H27N4O4/c1-21-18(24)15-6-3-2-5-14(15)17(20-21)26-11-4-8-22(9-7-19)10-12-25-16(23)13-22/h2-3,5-6,16,23H,4,7-13,19H2,1H3/q+1