4-oxidanylidene-3-[2-oxidanylidene-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]ethyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]ethyl]phthalazin-1-olate Openeye Name: 4-oxo-3-[2-oxo-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]ethyl]phthalazin-1-olate CAS Name: 4-oxo-3-[2-oxo-2-[[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]ethyl]-1-phthalazinolate IUPAC Name: 4-oxo-3-[2-oxo-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]ethyl]phthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]ethyl]phthalazin-1-olate Formula: C20H22N4O3S MolecularWeight: 398.47868

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)[O-])C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-])C4=CC=CS4

InChI

InChI=1S/C20H22N4O3S/c25-18(13-24-20(27)15-7-2-1-6-14(15)19(26)22-24)21-12-16(17-8-5-11-28-17)23-9-3-4-10-23/h1-2,5-8,11,16H,3-4,9-10,12-13H2,(H,21,25)(H,22,26)/t16-/m0/s1