2-methyl-5-oxidanyl-N-phenyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide

Systemtic Name: 2-methyl-5-oxidanyl-N-phenyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide Openeye Name: 5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxamide CAS Name: 5-hydroxy-2-methyl-N-phenyl-4-(1-piperidin-1-iumylmethyl)-3-benzofurancarboxamide IUPAC Name: 5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide Traditional Name: 5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxamide Formula: C22H25N2O3+ MolecularWeight: 365.4455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCCCC3)O)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCCCC3)O)C(=O)NC4=CC=CC=C4

InChI

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