2-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-6-prop-2-enyl-phenol

Systemtic Name: 2-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-6-prop-2-enyl-phenol Openeye Name: 2-allyl-6-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenol CAS Name: 2-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-6-prop-2-enylphenol IUPAC Name: 2-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-6-prop-2-enylphenol Traditional Name: 2-allyl-6-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenol Formula: C26H36N3O+ MolecularWeight: 406.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=CC=CC(=C3O)CC=C

Isomeric SMILES

CCCCCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=CC=CC(=C3O)CC=C

InChI

InChI=1S/C26H35N3O/c1-3-5-6-7-8-9-12-19-29-24-18-11-10-17-23(24)28-26(29)27-20-22-16-13-15-21(14-4-2)25(22)30/h4,10-11,13,15-18H,2-3,5-9,12,14,19-20H2,1H3,(H2,27,28,30)/p+1