2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H26N4O2/c28-22(14-21-19-10-4-5-11-20(19)23(29)26-25-21)24-15-17-8-2-3-9-18(17)16-27-12-6-1-7-13-27/h2-5,8-11H,1,6-7,12-16H2,(H,24,28)(H,26,29)/p+1