N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3H-phthalazine-1-carboxamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=NNC(=O)C3=CC=CC=C32)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2=NNC(=O)C3=CC=CC=C32)[NH+]4CCCC4

InChI

InChI=1S/C22H24N4O3/c1-29-16-8-6-7-15(13-16)19(26-11-4-5-12-26)14-23-22(28)20-17-9-2-3-10-18(17)21(27)25-24-20/h2-3,6-10,13,19H,4-5,11-12,14H2,1H3,(H,23,28)(H,25,27)/p+1/t19-/m0/s1