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1-dodecyl-3-phenethyl-benzimidazol-1-ium-2-amine

1-dodecyl-3-phenethyl-benzimidazol-1-ium-2-amine

Systemtic Name:1-dodecyl-3-phenethyl-benzimidazol-1-ium-2-amine
Openeye Name:1-dodecyl-3-phenethyl-benzimidazol-1-ium-2-amine
CAS Name:1-dodecyl-3-phenethyl-2-benzimidazol-1-iumamine
IUPAC Name:1-dodecyl-3-phenethylbenzimidazol-1-ium-2-amine
Traditional Name:(1-lauryl-3-phenethyl-benzimidazol-1-ium-2-yl)amine
Formula: C27H40N3+
MolecularWeight: 406.6266
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=C(N(C2=CC=CC=C21)CCC3=CC=CC=C3)N


Isomeric SMILES

CCCCCCCCCCCC[N+]1=C(N(C2=CC=CC=C21)CCC3=CC=CC=C3)N


InChI

InChI=1S/C27H39N3/c1-2-3-4-5-6-7-8-9-10-16-22-29-25-19-14-15-20-26(25)30(27(29)28)23-21-24-17-12-11-13-18-24/h11-15,17-20,28H,2-10,16,21-23H2,1H3/p+1


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