2-[[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]disulfanyl]propanoic acid

Systemtic Name: 2-[[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]disulfanyl]propanoic acid Openeye Name: 2-[[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]disulfanyl]propanoic acid CAS Name: 2-[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]disulfanyl]propanoic acid IUPAC Name: 2-[[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]disulfanyl]propanoic acid Traditional Name: 2-[[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]disulfanyl]propionic acid Formula: C20H22NO4S2+ MolecularWeight: 404.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SS[N+]1(CCCC1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)SS[N+]1(CCCC1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H21NO4S2/c1-15(20(23)24)26-27-21(13-5-8-19(21)22)14-16-9-11-18(12-10-16)25-17-6-3-2-4-7-17/h2-4,6-7,9-12,15H,5,8,13-14H2,1H3/p+1