2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one CAS Name: 2-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]-4-methylphthalazin-1-one Traditional Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H25N3O4/c1-16-19-4-2-3-5-20(19)24(29)27(25-16)15-26-10-8-17(9-11-26)23(28)18-6-7-21-22(14-18)31-13-12-30-21/h2-7,14,17H,8-13,15H2,1H3/p+1