3-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C21H24N5O4+ MolecularWeight: 410.44636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)C4=CC=CO4

InChI

InChI=1S/C21H23N5O4/c22-20(28)19-14-6-1-2-7-15(14)21(29)26(24-19)13-18(27)23-12-16(17-8-5-11-30-17)25-9-3-4-10-25/h1-2,5-8,11,16H,3-4,9-10,12-13H2,(H2,22,28)(H,23,27)/p+1/t16-/m0/s1