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

Systemtic Name: 2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H24N4O2/c27-21(13-20-18-9-3-4-10-19(18)22(28)25-24-20)23-14-16-7-1-2-8-17(16)15-26-11-5-6-12-26/h1-4,7-10H,5-6,11-15H2,(H,23,27)(H,25,28)/p+1