[3-(2-butyl-7-methyl-1-oxidanyl-benzimidazol-1-ium-1-yl)-2-methyl-6-phenyl-phenyl]methanamine

Systemtic Name: [3-(2-butyl-7-methyl-1-oxidanyl-benzimidazol-1-ium-1-yl)-2-methyl-6-phenyl-phenyl]methanamine Openeye Name: [3-(2-butyl-1-hydroxy-7-methyl-benzimidazol-1-ium-1-yl)-2-methyl-6-phenyl-phenyl]methanamine CAS Name: [3-(2-butyl-1-hydroxy-7-methyl-1-benzimidazol-1-iumyl)-2-methyl-6-phenylphenyl]methanamine IUPAC Name: [3-(2-butyl-1-hydroxy-7-methylbenzimidazol-1-ium-1-yl)-2-methyl-6-phenylphenyl]methanamine Traditional Name: [3-(2-butyl-1-hydroxy-7-methyl-benzimidazol-1-ium-1-yl)-2-methyl-6-phenyl-benzyl]amine Formula: C26H30N3O+ MolecularWeight: 400.5359

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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)CN)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N3O/c1-4-5-14-25-28-23-13-9-10-18(2)26(23)29(25,30)24-16-15-21(22(17-27)19(24)3)20-11-7-6-8-12-20/h6-13,15-16,30H,4-5,14,17,27H2,1-3H3/q+1