(2S,4R)-1-[(2-hydroxyphenyl)methyl]-4-pyridin-2-ylsulfanyl-N-quinoxalin-6-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-1-[(2-hydroxyphenyl)methyl]-4-pyridin-2-ylsulfanyl-N-quinoxalin-6-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-[(2-hydroxyphenyl)methyl]-4-(2-pyridylsulfanyl)-N-quinoxalin-6-yl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-[(2-hydroxyphenyl)methyl]-4-(2-pyridinylthio)-N-(6-quinoxalinyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-[(2-hydroxyphenyl)methyl]-4-pyridin-2-ylsulfanyl-N-quinoxalin-6-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(2-pyridylthio)-N-quinoxalin-6-yl-1-salicyl-pyrrolidin-1-ium-2-carboxamide Formula: C25H24N5O2S+ MolecularWeight: 458.55536

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH+](C1C(=O)NC2=CC3=NC=CN=C3C=C2)CC4=CC=CC=C4O)SC5=CC=CC=N5

Isomeric SMILES

C1[C@H](C[NH+]([C@@H]1C(=O)NC2=CC3=NC=CN=C3C=C2)CC4=CC=CC=C4O)SC5=CC=CC=N5

InChI

InChI=1S/C25H23N5O2S/c31-23-6-2-1-5-17(23)15-30-16-19(33-24-7-3-4-10-28-24)14-22(30)25(32)29-18-8-9-20-21(13-18)27-12-11-26-20/h1-13,19,22,31H,14-16H2,(H,29,32)/p+1/t19-,22+/m1/s1