3-(2-butyl-7-methyl-1-oxidanyl-benzimidazol-1-ium-1-yl)-2-methyl-6-phenyl-aniline

Systemtic Name: 3-(2-butyl-7-methyl-1-oxidanyl-benzimidazol-1-ium-1-yl)-2-methyl-6-phenyl-aniline Openeye Name: 3-(2-butyl-1-hydroxy-7-methyl-benzimidazol-1-ium-1-yl)-2-methyl-6-phenyl-aniline CAS Name: 3-(2-butyl-1-hydroxy-7-methyl-1-benzimidazol-1-iumyl)-2-methyl-6-phenylaniline IUPAC Name: 3-(2-butyl-1-hydroxy-7-methylbenzimidazol-1-ium-1-yl)-2-methyl-6-phenylaniline Traditional Name: [3-(2-butyl-1-hydroxy-7-methyl-benzimidazol-1-ium-1-yl)-2-methyl-6-phenyl-phenyl]amine Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N3O/c1-4-5-14-23-27-21-13-9-10-17(2)25(21)28(23,29)22-16-15-20(24(26)18(22)3)19-11-7-6-8-12-19/h6-13,15-16,29H,4-5,14,26H2,1-3H3/q+1