5-(2,6-dimethylphenyl)-1-oxidanyl-1-(phenylmethyl)-5-(1-phenylpentyl)-4H-imidazol-1-ium

Systemtic Name: 5-(2,6-dimethylphenyl)-1-oxidanyl-1-(phenylmethyl)-5-(1-phenylpentyl)-4H-imidazol-1-ium Openeye Name: 1-benzyl-5-(2,6-dimethylphenyl)-1-hydroxy-5-(1-phenylpentyl)-4H-imidazol-1-ium CAS Name: 5-(2,6-dimethylphenyl)-1-hydroxy-1-(phenylmethyl)-5-(1-phenylpentyl)-4H-imidazol-1-ium IUPAC Name: 1-benzyl-5-(2,6-dimethylphenyl)-1-hydroxy-5-(1-phenylpentyl)-4H-imidazol-1-ium Traditional Name: 1-benzyl-5-(2,6-dimethylphenyl)-1-hydroxy-5-(1-phenylpentyl)-2-imidazolin-1-ium Formula: C29H35N2O+ MolecularWeight: 427.601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)C2(CN=C[N+]2(CC3=CC=CC=C3)O)C4=C(C=CC=C4C)C

Isomeric SMILES

CCCCC(C1=CC=CC=C1)C2(CN=C[N+]2(CC3=CC=CC=C3)O)C4=C(C=CC=C4C)C

InChI

InChI=1S/C29H35N2O/c1-4-5-19-27(26-17-10-7-11-18-26)29(28-23(2)13-12-14-24(28)3)21-30-22-31(29,32)20-25-15-8-6-9-16-25/h6-18,22,27,32H,4-5,19-21H2,1-3H3/q+1