1,2-dimethyl-5-(pyridin-4-ylsulfanylmethyl)pyrimidin-1-ium-4-amine perchlorate

Systemtic Name: 1,2-dimethyl-5-(pyridin-4-ylsulfanylmethyl)pyrimidin-1-ium-4-amine perchlorate Openeye Name: 1,2-dimethyl-5-(4-pyridylsulfanylmethyl)pyrimidin-1-ium-4-amine perchlorate CAS Name: 1,2-dimethyl-5-[(pyridin-4-ylthio)methyl]-4-pyrimidin-1-iumamine perchlorate IUPAC Name: 1,2-dimethyl-5-(pyridin-4-ylsulfanylmethyl)pyrimidin-1-ium-4-amine perchlorate Traditional Name: [1,2-dimethyl-5-[(4-pyridylthio)methyl]pyrimidin-1-ium-4-yl]amine perchlorate Formula: C12H15ClN4O4S MolecularWeight: 346.7899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4S.ClHO4/c1-9-15-12(13)10(7-16(9)2)8-17-11-3-5-14-6-4-11;2-1(3,4)5/h3-7,13H,8H2,1-2H3;(H,2,3,4,5)