3-methyl-4-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2/c1-25-22(28)19-11-5-4-10-18(19)20(24-25)21(27)23-14-16-8-2-3-9-17(16)15-26-12-6-7-13-26/h2-5,8-11H,6-7,12-15H2,1H3,(H,23,27)/p+1