2-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]morpholine-4-carbothioate

Systemtic Name: 2-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]morpholine-4-carbothioate Openeye Name: 2-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]morpholine-4-carbothioate CAS Name: 2-[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]-4-morpholinecarbothioate IUPAC Name: 2-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]morpholine-4-carbothioate Traditional Name: 2-[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]morpholine-4-carbothioate Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)C4CN(CCO4)C(=S)[O-]

Isomeric SMILES

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)C4CN(CCO4)C(=S)[O-]

InChI

InChI=1S/C22H24N2O4S/c25-20-7-4-13-24(20,21-15-23(22(26)29)12-14-27-21)16-17-8-10-19(11-9-17)28-18-5-2-1-3-6-18/h1-3,5-6,8-11,21H,4,7,12-16H2