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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C24H29N2O3S+ MolecularWeight: 425.56366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=C(SCCO2)C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(SCCO2)C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C24H28N2O3S/c1-28-20-11-9-18(10-12-20)21(26-13-5-6-14-26)17-25-24(27)22-23(30-16-15-29-22)19-7-3-2-4-8-19/h2-4,7-12,21H,5-6,13-17H2,1H3,(H,25,27)/p+1/t21-/m0/s1