N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-(methylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-3-[(methylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-[(methylthio)methyl]coumarilamide Formula: C19H27N2O3S+ MolecularWeight: 363.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=C(C2=CC=CC=C2O1)CSC)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=C(C2=CC=CC=C2O1)CSC)[NH+]3CCOCC3

InChI

InChI=1S/C19H26N2O3S/c1-19(2,21-8-10-23-11-9-21)13-20-18(22)17-15(12-25-3)14-6-4-5-7-16(14)24-17/h4-7H,8-13H2,1-3H3,(H,20,22)/p+1