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

Systemtic Name: (2S,4R)-1-[(2-hydroxyphenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-N-quinoxalin-6-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-[(2-hydroxyphenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-N-quinoxalin-6-yl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-[(2-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)thio]-N-(6-quinoxalinyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-[(2-hydroxyphenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-N-quinoxalin-6-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-[(4-methoxyphenyl)thio]-N-quinoxalin-6-yl-1-salicyl-pyrrolidin-1-ium-2-carboxamide Formula: C27H27N4O3S+ MolecularWeight: 487.59328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2CC([NH+](C2)CC3=CC=CC=C3O)C(=O)NC4=CC5=NC=CN=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)S[C@@H]2C[C@H]([NH+](C2)CC3=CC=CC=C3O)C(=O)NC4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C27H26N4O3S/c1-34-20-7-9-21(10-8-20)35-22-15-25(31(17-22)16-18-4-2-3-5-26(18)32)27(33)30-19-6-11-23-24(14-19)29-13-12-28-23/h2-14,22,25,32H,15-17H2,1H3,(H,30,33)/p+1/t22-,25+/m1/s1