N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzofuran-2-carboxamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-benzofurancarboxamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]coumarilamide Formula: C22H25N2O3+ MolecularWeight: 365.4455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H24N2O3/c1-16-6-8-17(9-7-16)19(15-24-10-12-26-13-11-24)23-22(25)21-14-18-4-2-3-5-20(18)27-21/h2-9,14,19H,10-13,15H2,1H3,(H,23,25)/p+1/t19-/m0/s1