2-[3-(2-morpholin-4-ylethyl)-2-(phenylmethyl)benzimidazol-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[3-(2-morpholin-4-ylethyl)-2-(phenylmethyl)benzimidazol-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[2-benzyl-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[3-[2-(4-morpholinyl)ethyl]-2-(phenylmethyl)-1-benzimidazol-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[2-benzyl-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[2-benzyl-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C28H30BrN3O2 MolecularWeight: 520.4607

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C3=CC=CC=C3[N+](=C2CC4=CC=CC=C4)CC(=O)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1COCCN1CCN2C3=CC=CC=C3[N+](=C2CC4=CC=CC=C4)CC(=O)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C28H30N3O2.BrH/c32-27(24-11-5-2-6-12-24)22-31-26-14-8-7-13-25(26)30(16-15-29-17-19-33-20-18-29)28(31)21-23-9-3-1-4-10-23;/h1-14H,15-22H2;1H/q+1;/p-1