N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[(2R)-2-(4-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C23H26ClN2O2S+ MolecularWeight: 429.98274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=C(SCCO2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=C(SCCO2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN2O2S/c24-19-10-8-17(9-11-19)20(26-12-4-5-13-26)16-25-23(27)21-22(29-15-14-28-21)18-6-2-1-3-7-18/h1-3,6-11,20H,4-5,12-16H2,(H,25,27)/p+1/t20-/m0/s1