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1,3-dibutyl-2-methyl-benzimidazol-3-ium; 4-methylbenzenesulfonate

1,3-dibutyl-2-methyl-benzimidazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name:1,3-dibutyl-2-methyl-benzimidazol-3-ium; 4-methylbenzenesulfonate
Openeye Name:1,3-dibutyl-2-methyl-benzimidazol-3-ium; 4-methylbenzenesulfonate
CAS Name:1,3-dibutyl-2-methylbenzimidazol-3-ium; 4-methylbenzenesulfonate
IUPAC Name:1,3-dibutyl-2-methylbenzimidazol-3-ium; 4-methylbenzenesulfonate
Traditional Name:1,3-dibutyl-2-methyl-benzimidazol-3-ium tosylate
Formula: C23H32N2O3S
MolecularWeight: 416.57678
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=[N+](C2=CC=CC=C21)CCCC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]


Isomeric SMILES

CCCCN1C(=[N+](C2=CC=CC=C21)CCCC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]


InChI

InChI=1S/C16H25N2.C7H8O3S/c1-4-6-12-17-14(3)18(13-7-5-2)16-11-9-8-10-15(16)17;1-6-2-4-7(5-3-6)11(8,9)10/h8-11H,4-7,12-13H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


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