2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-methyl-phthalazin-1-one CAS Name: 2-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-methylphthalazin-1-one Traditional Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-methyl-phthalazin-1-one Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CN2C(=O)C3=CC=CC=C3C(=N2)C

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CN2C(=O)C3=CC=CC=C3C(=N2)C

InChI

InChI=1S/C16H21N3O2/c1-11-8-18(9-12(2)21-11)10-19-16(20)15-7-5-4-6-14(15)13(3)17-19/h4-7,11-12H,8-10H2,1-3H3/p+1/t11-,12-/m0/s1