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

Systemtic Name: 5-oxidanylidene-2-[1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]morpholine-4-carbothioic S-acid Openeye Name: 5-oxo-2-[1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]morpholine-4-carbothioic S-acid CAS Name: 5-oxo-2-[1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]-4-morpholinecarbothioic S-acid IUPAC Name: 5-oxo-2-[1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]morpholine-4-carbothioic S-acid Traditional Name: 5-keto-2-[1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]morpholine-4-carbothioic S-acid Formula: C22H25N2O4S+ MolecularWeight: 413.5099

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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(=O)S

Isomeric SMILES

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

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/p+1