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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(6-bromo-2-keto-1,3-dihydrobenzimidazol-5-yl)acetamide Formula: C21H29BrN5O3+ MolecularWeight: 479.39066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=C4C(=C3)NC(=O)N4)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=C4C(=C3)NC(=O)N4)Br

InChI

InChI=1S/C21H28BrN5O3/c22-15-11-17-18(25-21(30)24-17)12-16(15)23-19(28)13-26-9-5-14(6-10-26)20(29)27-7-3-1-2-4-8-27/h11-12,14H,1-10,13H2,(H,23,28)(H2,24,25,30)/p+1