2-[[(3-hexadecyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenol

Systemtic Name: 2-[[(3-hexadecyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenol Openeye Name: 2-[[(3-hexadecyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenol CAS Name: 2-[[(3-hexadecyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenol IUPAC Name: 2-[[(3-hexadecyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenol Traditional Name: 2-[[(3-cetyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenol Formula: C30H46N3O+ MolecularWeight: 464.70574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-33-28-22-17-16-21-27(28)32-30(33)31-25-26-20-15-18-23-29(26)34/h15-18,20-23H,2-14,19,24-25H2,1H3,(H2,31,32,34)/p+1