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

Systemtic Name: 2-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]ethanoylsulfanylcarbamic acid Openeye Name: [2-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]acetyl]sulfanylcarbamic acid CAS Name: [[1-oxo-2-[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]ethyl]thio]carbamic acid IUPAC Name: [2-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]acetyl]sulfanylcarbamic acid Traditional Name: [[2-[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]acetyl]thio]carbamic acid Formula: C20H21N2O5S+ MolecularWeight: 401.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)CC(=O)SNC(=O)O

Isomeric SMILES

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)CC(=O)SNC(=O)O

InChI

InChI=1S/C20H20N2O5S/c23-18-7-4-12-22(18,14-19(24)28-21-20(25)26)13-15-8-10-17(11-9-15)27-16-5-2-1-3-6-16/h1-3,5-6,8-11,21H,4,7,12-14H2/p+1