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

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C27H28N4O3/c32-26(28-18-23(24-14-9-17-34-24)30-15-7-2-8-16-30)25-21-12-5-6-13-22(21)27(33)31(29-25)19-20-10-3-1-4-11-20/h1,3-6,9-14,17,23H,2,7-8,15-16,18-19H2,(H,28,32)/p+1/t23-/m1/s1