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

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C19H21N4O3+ MolecularWeight: 353.39504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C19H20N4O3/c24-18-14-7-2-1-6-13(14)17(21-22-18)19(25)20-12-15(16-8-5-11-26-16)23-9-3-4-10-23/h1-2,5-8,11,15H,3-4,9-10,12H2,(H,20,25)(H,22,24)/p+1/t15-/m1/s1