1-methyl-4-phenylsulfanyl-2,3-dihydropyridin-1-ium perchlorate

Systemtic Name: 1-methyl-4-phenylsulfanyl-2,3-dihydropyridin-1-ium perchlorate Openeye Name: 1-methyl-4-phenylsulfanyl-2,3-dihydropyridin-1-ium perchlorate CAS Name: 1-methyl-4-(phenylthio)-2,3-dihydropyridin-1-ium perchlorate IUPAC Name: 1-methyl-4-phenylsulfanyl-2,3-dihydropyridin-1-ium perchlorate Traditional Name: 1-methyl-4-(phenylthio)-2,3-dihydropyridin-1-ium perchlorate Formula: C12H14ClNO4S MolecularWeight: 303.76186

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(CC1)SC2=CC=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=CC=C(CC1)SC2=CC=CC=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H14NS.ClHO4/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;2-1(3,4)5/h2-7,9H,8,10H2,1H3;(H,2,3,4,5)/q+1;/p-1