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

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethanamide Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide Traditional Name: N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)NC3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)NC3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C22H26N4O3/c1-29-17-9-6-15(7-10-17)20-5-3-2-4-12-26(20)14-21(27)23-16-8-11-18-19(13-16)25-22(28)24-18/h6-11,13,20H,2-5,12,14H2,1H3,(H,23,27)(H2,24,25,28)/p+1/t20-/m1/s1