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

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(2-chlorophenyl)ethyl]-3,6-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-3,6-dimethyl-coumarilamide Formula: C25H30ClN2O2+ MolecularWeight: 425.9709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NCC(C3=CC=CC=C3Cl)[NH+]4CCCCCC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NC[C@@H](C3=CC=CC=C3Cl)[NH+]4CCCCCC4)C

InChI

InChI=1S/C25H29ClN2O2/c1-17-11-12-19-18(2)24(30-23(19)15-17)25(29)27-16-22(20-9-5-6-10-21(20)26)28-13-7-3-4-8-14-28/h5-6,9-12,15,22H,3-4,7-8,13-14,16H2,1-2H3,(H,27,29)/p+1/t22-/m0/s1