N-(3-morpholin-4-ium-4-ylpropyl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(3-morpholin-4-ium-4-ylpropyl)benzofuran-2-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)coumarilamide Formula: C24H29N2O3S+ MolecularWeight: 425.56366

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O3S/c27-24(25-11-6-12-26-13-15-28-16-14-26)23-21(20-9-4-5-10-22(20)29-23)18-30-17-19-7-2-1-3-8-19/h1-5,7-10H,6,11-18H2,(H,25,27)/p+1