N-[4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide

Systemtic Name: N-[4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide Openeye Name: N-[4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]-2-(1-oxophthalazin-2-yl)acetamide CAS Name: N-[4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]phenyl]-2-(1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]-2-(1-oxophthalazin-2-yl)acetamide Traditional Name: 2-(1-ketophthalazin-2-yl)-N-[4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C23H26N4O2/c1-17-6-4-5-13-26(17)15-18-9-11-20(12-10-18)25-22(28)16-27-23(29)21-8-3-2-7-19(21)14-24-27/h2-3,7-12,14,17H,4-6,13,15-16H2,1H3,(H,25,28)/p+1/t17-/m0/s1