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

Systemtic Name: 4-oxidanylidene-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-3H-phthalazine-1-carboxamide Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C19H20N4O2S/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-/m0/s1