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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)acetamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C21H29N5O3/c27-19(22-16-5-6-17-18(13-16)24-21(29)23-17)14-25-11-7-15(8-12-25)20(28)26-9-3-1-2-4-10-26/h5-6,13,15H,1-4,7-12,14H2,(H,22,27)(H2,23,24,29)/p+1