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

Systemtic Name: 2-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone Openeye Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 2-[2-amino-3-(4-chlorobenzyl)benzimidazol-3-ium-1-yl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C30H35ClN3O2+ MolecularWeight: 505.0708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C3=CC=CC=C3[N+](=C2N)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C3=CC=CC=C3[N+](=C2N)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C30H34ClN3O2/c1-29(2,3)22-15-20(16-23(27(22)36)30(4,5)6)26(35)18-34-25-10-8-7-9-24(25)33(28(34)32)17-19-11-13-21(31)14-12-19/h7-16,32H,17-18H2,1-6H3,(H,35,36)/p+1