N-[2-butyl-1-(2-methyl-3-phenyl-phenyl)benzimidazol-1-ium-1-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[2-butyl-1-(2-methyl-3-phenyl-phenyl)benzimidazol-1-ium-1-yl]-2,2-dimethyl-propanamide Openeye Name: N-[2-butyl-1-(2-methyl-3-phenyl-phenyl)benzimidazol-1-ium-1-yl]-2,2-dimethyl-propanamide CAS Name: N-[2-butyl-1-(2-methyl-3-phenylphenyl)-1-benzimidazol-1-iumyl]-2,2-dimethylpropanamide IUPAC Name: N-[2-butyl-1-(2-methyl-3-phenylphenyl)benzimidazol-1-ium-1-yl]-2,2-dimethylpropanamide Traditional Name: N-[2-butyl-1-(2-methyl-3-phenyl-phenyl)benzimidazol-1-ium-1-yl]-2,2-dimethyl-propionamide Formula: C29H34N3O+ MolecularWeight: 440.59976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(C3=CC=CC(=C3C)C4=CC=CC=C4)NC(=O)C(C)(C)C

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(C3=CC=CC(=C3C)C4=CC=CC=C4)NC(=O)C(C)(C)C

InChI

InChI=1S/C29H33N3O/c1-6-7-20-27-30-24-17-11-12-18-26(24)32(27,31-28(33)29(3,4)5)25-19-13-16-23(21(25)2)22-14-9-8-10-15-22/h8-19H,6-7,20H2,1-5H3/p+1