5-methoxy-3-methyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-methoxy-3-methyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-methoxy-3-methyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzofuran-2-carboxamide CAS Name: 5-methoxy-3-methyl-N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-benzofurancarboxamide IUPAC Name: 5-methoxy-3-methyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-methoxy-3-methyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]coumarilamide Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC[C@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C21H24N2O4S/c1-14-16-12-15(25-2)5-6-18(16)27-20(14)21(24)22-13-17(19-4-3-11-28-19)23-7-9-26-10-8-23/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,22,24)/p+1/t17-/m1/s1