3-(5-chloranyl-6-cyano-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(5-chloranyl-6-cyano-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(5-chloro-6-cyano-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(5-chloro-6-cyano-3-ethyl-2-methyl-1-benzimidazol-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(5-chloro-6-cyano-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(5-chloro-6-cyano-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propane-1-sulfonate Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C(=C2)C#N)Cl)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C(=C2)C#N)Cl)CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C14H16ClN3O3S/c1-3-17-10(2)18(5-4-6-22(19,20)21)13-7-11(9-16)12(15)8-14(13)17/h7-8H,3-6H2,1-2H3