3-(methylsulfanylmethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-(methylsulfanylmethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(methylsulfanylmethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzofuran-2-carboxamide CAS Name: 3-[(methylthio)methyl]-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 3-(methylsulfanylmethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(methylthio)methyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]coumarilamide Formula: C23H27N2O2S+ MolecularWeight: 395.53768

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C23H26N2O2S/c1-28-16-19-18-11-5-6-12-21(18)27-22(19)23(26)24-15-20(25-13-7-8-14-25)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16H2,1H3,(H,24,26)/p+1/t20-/m0/s1