N-[[7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[7-(4-chlorophenyl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[7-(4-chlorophenyl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[[7-(4-chlorophenyl)-5-methyl-coumaran-2-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H19ClN2O3 MolecularWeight: 394.85086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C3=CC=C(C=C3)Cl)OC(C2)CNC(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CC1=CC2=C(C(=C1)C3=CC=C(C=C3)Cl)OC(C2)CNC(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C22H19ClN2O3/c1-14-9-17-11-19(12-24-22(26)16-3-2-8-25(27)13-16)28-21(17)20(10-14)15-4-6-18(23)7-5-15/h2-10,13,19H,11-12H2,1H3,(H,24,26)