4-[5,6-bis(chloranyl)-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[5,6-bis(chloranyl)-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-(5,6-dichloro-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)butane-1-sulfonate CAS Name: 4-(5,6-dichloro-3-ethyl-2-methyl-1-benzimidazol-1-iumyl)-1-butanesulfonate IUPAC Name: 4-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)butane-1-sulfonate Traditional Name: 4-(5,6-dichloro-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)butane-1-sulfonate Formula: C14H18Cl2N2O3S MolecularWeight: 365.27532

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)[O-])C

Isomeric SMILES

CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)[O-])C

InChI

InChI=1S/C14H18Cl2N2O3S/c1-3-17-10(2)18(6-4-5-7-22(19,20)21)14-9-12(16)11(15)8-13(14)17/h8-9H,3-7H2,1-2H3