3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]methyl]phthalazine-1-carboxamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC[NH+]2CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCC[NH+]2CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C22H24N4O3/c1-2-29-16-11-9-15(10-12-16)19-8-5-13-25(19)14-26-22(28)18-7-4-3-6-17(18)20(24-26)21(23)27/h3-4,6-7,9-12,19H,2,5,8,13-14H2,1H3,(H2,23,27)/p+1/t19-/m1/s1