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

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-5-bromo-furan-2-carboxamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methoxyphenyl)ethyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-5-bromofuran-2-carboxamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-5-bromo-2-furamide Formula: C20H26BrN2O3+ MolecularWeight: 422.33604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(O2)Br)[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(O2)Br)[NH+]3CCCCCC3

InChI

InChI=1S/C20H25BrN2O3/c1-25-16-8-6-15(7-9-16)17(23-12-4-2-3-5-13-23)14-22-20(24)18-10-11-19(21)26-18/h6-11,17H,2-5,12-14H2,1H3,(H,22,24)/p+1/t17-/m0/s1