3-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[(2S)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCCC3C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCC[C@H]3C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C23H26N4O4/c1-24-22(28)21-16-7-4-5-8-17(16)23(29)27(25-21)14-26-12-6-9-19(26)18-11-10-15(30-2)13-20(18)31-3/h4-5,7-8,10-11,13,19H,6,9,12,14H2,1-3H3,(H,24,28)/p+1/t19-/m0/s1