ethyl 3-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylpropanoate

Systemtic Name: ethyl 3-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylpropanoate Openeye Name: ethyl 3-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylpropanoate CAS Name: 3-[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylpropanoate Traditional Name: 3-[[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thio]propionic acid ethyl ester Formula: C22H26NO4S+ MolecularWeight: 400.51114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26NO4S/c1-2-26-22(25)14-16-28-23(15-6-9-21(23)24)17-18-10-12-20(13-11-18)27-19-7-4-3-5-8-19/h3-5,7-8,10-13H,2,6,9,14-17H2,1H3/q+1