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

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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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=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=C(SCCO2)C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C21H24N2O3S/c24-21(19-20(27-14-13-26-19)16-7-2-1-3-8-16)22-15-17(18-9-6-12-25-18)23-10-4-5-11-23/h1-3,6-9,12,17H,4-5,10-11,13-15H2,(H,22,24)/p+1/t17-/m0/s1