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1-butyl-3-(decoxymethyl)-2-methyl-benzimidazol-3-ium chloride

1-butyl-3-(decoxymethyl)-2-methyl-benzimidazol-3-ium chloride

Systemtic Name:1-butyl-3-(decoxymethyl)-2-methyl-benzimidazol-3-ium chloride
Openeye Name:1-butyl-3-(decoxymethyl)-2-methyl-benzimidazol-3-ium chloride
CAS Name:1-butyl-3-(decoxymethyl)-2-methylbenzimidazol-3-ium chloride
IUPAC Name:1-butyl-3-(decoxymethyl)-2-methylbenzimidazol-3-ium chloride
Traditional Name:1-butyl-3-(decoxymethyl)-2-methyl-benzimidazol-3-ium chloride
Formula: C23H39ClN2O
MolecularWeight: 395.02156
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC[N+]1=C(N(C2=CC=CC=C21)CCCC)C.[Cl-]


Isomeric SMILES

CCCCCCCCCCOC[N+]1=C(N(C2=CC=CC=C21)CCCC)C.[Cl-]


InChI

InChI=1S/C23H39N2O.ClH/c1-4-6-8-9-10-11-12-15-19-26-20-25-21(3)24(18-7-5-2)22-16-13-14-17-23(22)25;/h13-14,16-17H,4-12,15,18-20H2,1-3H3;1H/q+1;/p-1


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