4-(3-methylphenyl)-1-oxidanyl-5-(4-phenylbutyl)-1-(phenylmethyl)imidazol-1-ium

Systemtic Name: 4-(3-methylphenyl)-1-oxidanyl-5-(4-phenylbutyl)-1-(phenylmethyl)imidazol-1-ium Openeye Name: 1-benzyl-1-hydroxy-4-(m-tolyl)-5-(4-phenylbutyl)imidazol-1-ium CAS Name: 1-hydroxy-4-(3-methylphenyl)-5-(4-phenylbutyl)-1-(phenylmethyl)imidazol-1-ium IUPAC Name: 1-benzyl-1-hydroxy-4-(3-methylphenyl)-5-(4-phenylbutyl)imidazol-1-ium Traditional Name: 1-benzyl-1-hydroxy-4-(m-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(=C1)C2=C([N+](C=N2)(CC3=CC=CC=C3)O)CCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=C([N+](C=N2)(CC3=CC=CC=C3)O)CCCCC4=CC=CC=C4

InChI

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