2-[2-azanyl-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone

Systemtic Name: 2-[2-azanyl-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone Openeye Name: 2-[2-amino-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-[2-amino-3-[2-(4-morpholinyl)ethyl]-1-benzimidazol-1-iumyl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 2-[2-amino-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C29H41N4O3+ MolecularWeight: 493.66084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CCN4CCOCC4)N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CCN4CCOCC4)N

InChI

InChI=1S/C29H40N4O3/c1-28(2,3)21-17-20(18-22(26(21)35)29(4,5)6)25(34)19-33-24-10-8-7-9-23(24)32(27(33)30)12-11-31-13-15-36-16-14-31/h7-10,17-18,30H,11-16,19H2,1-6H3,(H,34,35)/p+1