4-methylbenzenesulfonate; 2-methyl-1-prop-2-ynyl-quinolin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 2-methyl-1-prop-2-ynyl-quinolin-1-ium Openeye Name: 4-methylbenzenesulfonate; 2-methyl-1-prop-2-ynyl-quinolin-1-ium CAS Name: 4-methylbenzenesulfonate; 2-methyl-1-prop-2-ynylquinolin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 2-methyl-1-prop-2-ynylquinolin-1-ium Traditional Name: 2-methyl-1-propargyl-quinolin-1-ium tosylate Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=CC=CC=C2C=C1)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=CC=CC=C2C=C1)CC#C

InChI

InChI=1S/C13H12N.C7H8O3S/c1-3-10-14-11(2)8-9-12-6-4-5-7-13(12)14;1-6-2-4-7(5-3-6)11(8,9)10/h1,4-9H,10H2,2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1