N-(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide Openeye Name: N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide CAS Name: N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]acetamide IUPAC Name: N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Traditional Name: N-(6-bromo-2-keto-1,3-dihydrobenzimidazol-5-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C22H26BrN4O3+ MolecularWeight: 474.37084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)NC3=C(C=C4C(=C3)NC(=O)N4)Br

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)NC3=C(C=C4C(=C3)NC(=O)N4)Br

InChI

InChI=1S/C22H25BrN4O3/c1-30-15-8-6-14(7-9-15)20-5-3-2-4-10-27(20)13-21(28)24-17-12-19-18(11-16(17)23)25-22(29)26-19/h6-9,11-12,20H,2-5,10,13H2,1H3,(H,24,28)(H2,25,26,29)/p+1/t20-/m1/s1