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

Systemtic Name: 1-[[(3-hexadecyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]naphthalen-2-ol Openeye Name: 1-[[(3-hexadecyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]naphthalen-2-ol CAS Name: 1-[[(3-hexadecyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-2-naphthalenol IUPAC Name: 1-[[(3-hexadecyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]naphthalen-2-ol Traditional Name: 1-[[(3-cetyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-2-naphthol Formula: C34H48N3O+ MolecularWeight: 514.76442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=C(C=CC4=CC=CC=C43)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=C(C=CC4=CC=CC=C43)O

InChI

InChI=1S/C34H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26-37-32-23-18-17-22-31(32)36-34(37)35-27-30-29-21-16-15-20-28(29)24-25-33(30)38/h15-18,20-25H,2-14,19,26-27H2,1H3,(H2,35,36,38)/p+1