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1-dodecyl-3-(3-phenylpropyl)benzimidazol-3-ium-2-amine bromide

1-dodecyl-3-(3-phenylpropyl)benzimidazol-3-ium-2-amine bromide

Systemtic Name:1-dodecyl-3-(3-phenylpropyl)benzimidazol-3-ium-2-amine bromide
Openeye Name:1-dodecyl-3-(3-phenylpropyl)benzimidazol-3-ium-2-amine bromide
CAS Name:1-dodecyl-3-(3-phenylpropyl)-2-benzimidazol-3-iumamine bromide
IUPAC Name:1-dodecyl-3-(3-phenylpropyl)benzimidazol-3-ium-2-amine bromide
Traditional Name:[1-lauryl-3-(3-phenylpropyl)benzimidazol-3-ium-2-yl]amine bromide
Formula: C28H42BrN3
MolecularWeight: 500.55718
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CCCC3=CC=CC=C3.[Br-]


Isomeric SMILES

CCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CCCC3=CC=CC=C3.[Br-]


InChI

InChI=1S/C28H41N3.BrH/c1-2-3-4-5-6-7-8-9-10-16-23-30-26-21-14-15-22-27(26)31(28(30)29)24-17-20-25-18-12-11-13-19-25;/h11-15,18-19,21-22,29H,2-10,16-17,20,23-24H2,1H3;1H


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