4-methylbenzenesulfonate; 1-methylpyrrolidin-1-ium-2-carbothialdehyde

Systemtic Name: 4-methylbenzenesulfonate; 1-methylpyrrolidin-1-ium-2-carbothialdehyde Openeye Name: 4-methylbenzenesulfonate; 1-methylpyrrolidin-1-ium-2-carbothialdehyde CAS Name: 4-methylbenzenesulfonate; 1-methyl-2-pyrrolidin-1-iumcarbothioaldehyde IUPAC Name: 4-methylbenzenesulfonate; 1-methylpyrrolidin-1-ium-2-carbothialdehyde Traditional Name: 1-methylpyrrolidin-1-ium-2-carbothialdehyde tosylate Formula: C13H19NO3S2 MolecularWeight: 301.42486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+]1CCCC1C=S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+]1CCCC1C=S

InChI

InChI=1S/C7H8O3S.C6H11NS/c1-6-2-4-7(5-3-6)11(8,9)10;1-7-4-2-3-6(7)5-8/h2-5H,1H3,(H,8,9,10);5-6H,2-4H2,1H3