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

Systemtic Name: 1-(4-methoxyphenyl)-2-[3-(2-morpholin-4-ylethyl)-2-(phenylmethyl)benzimidazol-1-ium-1-yl]ethanone Openeye Name: 2-[2-benzyl-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone CAS Name: 1-(4-methoxyphenyl)-2-[3-[2-(4-morpholinyl)ethyl]-2-(phenylmethyl)-1-benzimidazol-1-iumyl]ethanone IUPAC Name: 2-[2-benzyl-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[2-benzyl-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Formula: C29H32N3O3+ MolecularWeight: 470.58268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CCN4CCOCC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CCN4CCOCC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H32N3O3/c1-34-25-13-11-24(12-14-25)28(33)22-32-27-10-6-5-9-26(27)31(16-15-30-17-19-35-20-18-30)29(32)21-23-7-3-2-4-8-23/h2-14H,15-22H2,1H3/q+1