4-methylbenzenesulfonate; 1-methyl-4-nonan-5-yl-pyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-4-nonan-5-yl-pyridin-1-ium Openeye Name: 4-(1-butylpentyl)-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 1-methyl-4-nonan-5-ylpyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-4-nonan-5-ylpyridin-1-ium Traditional Name: 4-(1-butylpentyl)-1-methyl-pyridin-1-ium tosylate Formula: C22H33NO3S MolecularWeight: 391.56732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N.C7H8O3S/c1-4-6-8-14(9-7-5-2)15-10-12-16(3)13-11-15;1-6-2-4-7(5-3-6)11(8,9)10/h10-14H,4-9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1