4-methylbenzenesulfonate; 2-methyl-1,3-bis(2-methylpropyl)benzimidazol-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 2-methyl-1,3-bis(2-methylpropyl)benzimidazol-3-ium Openeye Name: 1,3-diisobutyl-2-methyl-benzimidazol-3-ium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 2-methyl-1,3-bis(2-methylpropyl)benzimidazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 2-methyl-1,3-bis(2-methylpropyl)benzimidazol-3-ium Traditional Name: 1,3-diisobutyl-2-methyl-benzimidazol-3-ium tosylate Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=CC=CC=C2N1CC(C)C)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=CC=CC=C2N1CC(C)C)CC(C)C

InChI

InChI=1S/C16H25N2.C7H8O3S/c1-12(2)10-17-14(5)18(11-13(3)4)16-9-7-6-8-15(16)17;1-6-2-4-7(5-3-6)11(8,9)10/h6-9,12-13H,10-11H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1