5-[(4-methoxyphenyl)sulfanylmethyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine perchlorate

Systemtic Name: 5-[(4-methoxyphenyl)sulfanylmethyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine perchlorate Openeye Name: 5-[(4-methoxyphenyl)sulfanylmethyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine perchlorate CAS Name: 5-[[(4-methoxyphenyl)thio]methyl]-1,2-dimethyl-4-pyrimidin-1-iumamine perchlorate IUPAC Name: 5-[(4-methoxyphenyl)sulfanylmethyl]-1,2-dimethylpyrimidin-1-ium-4-amine perchlorate Traditional Name: [5-[[(4-methoxyphenyl)thio]methyl]-1,2-dimethyl-pyrimidin-1-ium-4-yl]amine perchlorate Formula: C14H18ClN3O5S MolecularWeight: 375.82782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)CSC2=CC=C(C=C2)OC)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)CSC2=CC=C(C=C2)OC)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H17N3OS.ClHO4/c1-10-16-14(15)11(8-17(10)2)9-19-13-6-4-12(18-3)5-7-13;2-1(3,4)5/h4-8,15H,9H2,1-3H3;(H,2,3,4,5)