3,3-dimethyl-1-[3-(2-morpholin-4-ylethyl)-2-(phenylmethyl)benzimidazol-1-ium-1-yl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[3-(2-morpholin-4-ylethyl)-2-(phenylmethyl)benzimidazol-1-ium-1-yl]butan-2-one Openeye Name: 1-[2-benzyl-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[3-[2-(4-morpholinyl)ethyl]-2-(phenylmethyl)-1-benzimidazol-1-iumyl]-2-butanone IUPAC Name: 1-[2-benzyl-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[2-benzyl-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-3,3-dimethyl-butan-2-one Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[N+]1=C(N(C2=CC=CC=C21)CCN3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)C[N+]1=C(N(C2=CC=CC=C21)CCN3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H34N3O2/c1-26(2,3)24(30)20-29-23-12-8-7-11-22(23)28(14-13-27-15-17-31-18-16-27)25(29)19-21-9-5-4-6-10-21/h4-12H,13-20H2,1-3H3/q+1