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

Systemtic Name: 3-methyl-4-oxidanylidene-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[4-(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=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

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