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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-phthalazine-1-carboxamide Formula: C28H29N4O3+ MolecularWeight: 469.55486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)[NH+]5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)[NH+]5CCCC5

InChI

InChI=1S/C28H28N4O3/c1-35-22-15-13-20(14-16-22)25(31-17-7-8-18-31)19-29-27(33)26-23-11-5-6-12-24(23)28(34)32(30-26)21-9-3-2-4-10-21/h2-6,9-16,25H,7-8,17-19H2,1H3,(H,29,33)/p+1/t25-/m0/s1