4-(2-methylphenyl)-1-oxidanyl-5-(4-phenylbutyl)-1-(phenylmethyl)imidazol-1-ium

Systemtic Name: 4-(2-methylphenyl)-1-oxidanyl-5-(4-phenylbutyl)-1-(phenylmethyl)imidazol-1-ium Openeye Name: 1-benzyl-1-hydroxy-4-(o-tolyl)-5-(4-phenylbutyl)imidazol-1-ium CAS Name: 1-hydroxy-4-(2-methylphenyl)-5-(4-phenylbutyl)-1-(phenylmethyl)imidazol-1-ium IUPAC Name: 1-benzyl-1-hydroxy-4-(2-methylphenyl)-5-(4-phenylbutyl)imidazol-1-ium Traditional Name: 1-benzyl-1-hydroxy-4-(o-tolyl)-5-(4-phenylbutyl)imidazol-1-ium Formula: C27H29N2O+ MolecularWeight: 397.53196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C([N+](C=N2)(CC3=CC=CC=C3)O)CCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=C([N+](C=N2)(CC3=CC=CC=C3)O)CCCCC4=CC=CC=C4

InChI

InChI=1S/C27H29N2O/c1-22-12-8-10-18-25(22)27-26(19-11-9-15-23-13-4-2-5-14-23)29(30,21-28-27)20-24-16-6-3-7-17-24/h2-8,10,12-14,16-18,21,30H,9,11,15,19-20H2,1H3/q+1