1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-1-ium-1-ylsulfanylmethyl)methanamine

Systemtic Name: 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-1-ium-1-ylsulfanylmethyl)methanamine Openeye Name: 1-(3,5-dimethylisoxazol-4-yl)-N-(pyridin-1-ium-1-ylsulfanylmethyl)methanamine CAS Name: 1-(3,5-dimethyl-4-isoxazolyl)-N-[(1-pyridin-1-iumylthio)methyl]methanamine IUPAC Name: 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-1-ium-1-ylsulfanylmethyl)methanamine Traditional Name: (3,5-dimethylisoxazol-4-yl)methyl-[(pyridin-1-ium-1-ylthio)methyl]amine Formula: C12H16N3OS+ MolecularWeight: 250.33994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CNCS[N+]2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NO1)C)CNCS[N+]2=CC=CC=C2

InChI

InChI=1S/C12H16N3OS/c1-10-12(11(2)16-14-10)8-13-9-17-15-6-4-3-5-7-15/h3-7,13H,8-9H2,1-2H3/q+1