N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-5-bromanyl-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-5-bromanyl-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-5-bromo-3-methyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methoxyphenyl)ethyl]-5-bromo-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-5-bromo-3-methyl-coumarilamide Formula: C25H30BrN2O3+ MolecularWeight: 486.4213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCCCC4

InChI

InChI=1S/C25H29BrN2O3/c1-17-21-15-19(26)9-12-23(21)31-24(17)25(29)27-16-22(28-13-5-3-4-6-14-28)18-7-10-20(30-2)11-8-18/h7-12,15,22H,3-6,13-14,16H2,1-2H3,(H,27,29)/p+1/t22-/m0/s1