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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

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