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

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C26H27N4O3+ MolecularWeight: 443.51758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C26H26N4O3/c31-25(27-17-22(23-13-8-16-33-23)29-14-6-7-15-29)24-20-11-4-5-12-21(20)26(32)30(28-24)18-19-9-2-1-3-10-19/h1-5,8-13,16,22H,6-7,14-15,17-18H2,(H,27,31)/p+1/t22-/m1/s1