2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C15H20N3O+ MolecularWeight: 258.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O/c1-12-6-4-5-9-17(12)11-18-15(19)14-8-3-2-7-13(14)10-16-18/h2-3,7-8,10,12H,4-6,9,11H2,1H3/p+1/t12-/m0/s1