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

Systemtic Name: 5-oxidanylidene-2-[1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]morpholine-4-carbothioate Openeye Name: 5-oxo-2-[1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]morpholine-4-carbothioate CAS Name: 5-oxo-2-[1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]-4-morpholinecarbothioate IUPAC Name: 5-oxo-2-[1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]morpholine-4-carbothioate Traditional Name: 5-keto-2-[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[N+](C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)C4CN(C(=O)CO4)C(=S)[O-]

Isomeric SMILES

C1CC[N+](C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)C4CN(C(=O)CO4)C(=S)[O-]

InChI

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