N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-3,6-dimethyl-coumarilamide Formula: C26H33N2O2+ MolecularWeight: 405.55242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=C(C3=C(O2)C=C(C=C3)C)C)[NH+]4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(C3=C(O2)C=C(C=C3)C)C)[NH+]4CCCCCC4

InChI

InChI=1S/C26H32N2O2/c1-18-8-11-21(12-9-18)23(28-14-6-4-5-7-15-28)17-27-26(29)25-20(3)22-13-10-19(2)16-24(22)30-25/h8-13,16,23H,4-7,14-15,17H2,1-3H3,(H,27,29)/p+1/t23-/m0/s1