N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-3,5,6-trimethyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)ethyl]-3,5,6-trimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-3,5,6-trimethyl-coumarilamide Formula: C27H35N2O2+ MolecularWeight: 419.579

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=C(C3=CC(=C(C=C3O2)C)C)C)[NH+]4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(C3=CC(=C(C=C3O2)C)C)C)[NH+]4CCCCCC4

InChI

InChI=1S/C27H34N2O2/c1-18-9-11-22(12-10-18)24(29-13-7-5-6-8-14-29)17-28-27(30)26-21(4)23-15-19(2)20(3)16-25(23)31-26/h9-12,15-16,24H,5-8,13-14,17H2,1-4H3,(H,28,30)/p+1/t24-/m0/s1