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

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=C(SCCO2)C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=C(SCCO2)C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C22H26N2O3S/c25-22(20-21(28-15-14-27-20)17-8-3-1-4-9-17)23-16-18(19-10-7-13-26-19)24-11-5-2-6-12-24/h1,3-4,7-10,13,18H,2,5-6,11-12,14-16H2,(H,23,25)/p+1/t18-/m0/s1