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4,5-dihydro-1,3-thiazol-3-ium-2,3-diamine; (3,5-dimethylphenyl)methanesulfonate

4,5-dihydro-1,3-thiazol-3-ium-2,3-diamine; (3,5-dimethylphenyl)methanesulfonate

Systemtic Name:4,5-dihydro-1,3-thiazol-3-ium-2,3-diamine; (3,5-dimethylphenyl)methanesulfonate
Openeye Name:4,5-dihydrothiazol-3-ium-2,3-diamine; (3,5-dimethylphenyl)methanesulfonate
CAS Name:4,5-dihydrothiazol-3-ium-2,3-diamine; (3,5-dimethylphenyl)methanesulfonate
IUPAC Name:4,5-dihydro-1,3-thiazol-3-ium-2,3-diamine; (3,5-dimethylphenyl)methanesulfonate
Traditional Name:(2-amino-2-thiazolin-3-ium-3-yl)amine; (3,5-dimethylphenyl)methanesulfonate
Formula: C12H19N3O3S2
MolecularWeight: 317.42756
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.C1CSC(=[N+]1N)N


Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.C1CSC(=[N+]1N)N


InChI

InChI=1S/C9H12O3S.C3H7N3S/c1-7-3-8(2)5-9(4-7)6-13(10,11)12;4-3-6(5)1-2-7-3/h3-5H,6H2,1-2H3,(H,10,11,12);4H,1-2,5H2


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