4,7-diethoxy-1,3-dimethyl-2-methylsulfanyl-benzimidazol-3-ium perchlorate

Systemtic Name: 4,7-diethoxy-1,3-dimethyl-2-methylsulfanyl-benzimidazol-3-ium perchlorate Openeye Name: 4,7-diethoxy-1,3-dimethyl-2-methylsulfanyl-benzimidazol-3-ium perchlorate CAS Name: 4,7-diethoxy-1,3-dimethyl-2-(methylthio)benzimidazol-3-ium perchlorate IUPAC Name: 4,7-diethoxy-1,3-dimethyl-2-methylsulfanylbenzimidazol-3-ium perchlorate Traditional Name: 4,7-diethoxy-1,3-dimethyl-2-(methylthio)benzimidazol-3-ium perchlorate Formula: C14H21ClN2O6S MolecularWeight: 380.84434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)OCC)[N+](=C(N2C)SC)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC1=C2C(=C(C=C1)OCC)[N+](=C(N2C)SC)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H21N2O2S.ClHO4/c1-6-17-10-8-9-11(18-7-2)13-12(10)15(3)14(19-5)16(13)4;2-1(3,4)5/h8-9H,6-7H2,1-5H3;(H,2,3,4,5)/q+1;/p-1