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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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