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

Systemtic Name: 2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C20H22N4O2S/c25-19(12-16-14-6-1-2-7-15(14)20(26)23-22-16)21-13-17(18-8-5-11-27-18)24-9-3-4-10-24/h1-2,5-8,11,17H,3-4,9-10,12-13H2,(H,21,25)(H,23,26)/p+1/t17-/m0/s1