furan-2-ylmethyl(trimethyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: furan-2-ylmethyl(trimethyl)azanium; 4-methylbenzenesulfonate Openeye Name: 2-furylmethyl(trimethyl)ammonium; 4-methylbenzenesulfonate CAS Name: 2-furanylmethyl(trimethyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: furan-2-ylmethyl(trimethyl)azanium; 4-methylbenzenesulfonate Traditional Name: 2-furfuryl(trimethyl)ammonium tosylate Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CC1=CC=CO1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CC1=CC=CO1

InChI

InChI=1S/C8H14NO.C7H8O3S/c1-9(2,3)7-8-5-4-6-10-8;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H,7H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1