3-[3-[(4-methoxyphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-1-ium-1-yl]-3-oxidanyl-propanoic acid

Systemtic Name: 3-[3-[(4-methoxyphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-1-ium-1-yl]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-3-[3-[(4-methoxyphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-1-ium-1-yl]propanoic acid CAS Name: 3-hydroxy-3-[3-[(4-methoxyphenyl)methylthio]-1-[(4-nitrophenyl)methoxy-oxomethyl]-1-pyrrolidin-1-iumyl]propanoic acid IUPAC Name: 3-hydroxy-3-[3-[(4-methoxyphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-1-ium-1-yl]propanoic acid Traditional Name: 3-hydroxy-3-[1-(4-nitrobenzyl)oxycarbonyl-3-(p-anisylthio)pyrrolidin-1-ium-1-yl]propionic acid Formula: C23H27N2O8S+ MolecularWeight: 491.53408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC[N+](C2)(C(CC(=O)O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC[N+](C2)(C(CC(=O)O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O8S/c1-32-19-8-4-17(5-9-19)15-34-20-10-11-25(13-20,21(26)12-22(27)28)23(29)33-14-16-2-6-18(7-3-16)24(30)31/h2-9,20-21,26H,10-15H2,1H3/p+1