1,2-dimethyl-5-(phenylsulfonylmethyl)pyrimidin-1-ium-4-amine

Systemtic Name: 1,2-dimethyl-5-(phenylsulfonylmethyl)pyrimidin-1-ium-4-amine Openeye Name: 5-(benzenesulfonylmethyl)-1,2-dimethyl-pyrimidin-1-ium-4-amine CAS Name: 5-(benzenesulfonylmethyl)-1,2-dimethyl-4-pyrimidin-1-iumamine IUPAC Name: 5-(benzenesulfonylmethyl)-1,2-dimethylpyrimidin-1-ium-4-amine Traditional Name: [5-(besylmethyl)-1,2-dimethyl-pyrimidin-1-ium-4-yl]amine Formula: C13H16N3O2S+ MolecularWeight: 278.35004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)CS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)CS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C13H15N3O2S/c1-10-15-13(14)11(8-16(10)2)9-19(17,18)12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3/p+1