3-[(phenylmethylsulfanyl)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-[(phenylmethylsulfanyl)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzofuran-2-carboxamide CAS Name: 3-[(phenylmethylthio)methyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)coumarilamide Formula: C24H29N2O2S+ MolecularWeight: 409.56426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O2S/c27-24(25-13-8-16-26-14-6-7-15-26)23-21(20-11-4-5-12-22(20)28-23)18-29-17-19-9-2-1-3-10-19/h1-5,9-12H,6-8,13-18H2,(H,25,27)/p+1