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

Systemtic Name: 4-[5,6-bis(chloranyl)-3-ethyl-2-methyl-2,3-dihydrobenzimidazol-3-ium-1-yl]butane-2-sulfonate Openeye Name: 4-(5,6-dichloro-3-ethyl-2-methyl-2,3-dihydrobenzimidazol-3-ium-1-yl)butane-2-sulfonate CAS Name: 4-(5,6-dichloro-3-ethyl-2-methyl-2,3-dihydrobenzimidazol-3-ium-1-yl)-2-butanesulfonate IUPAC Name: 4-(5,6-dichloro-3-ethyl-2-methyl-2,3-dihydrobenzimidazol-3-ium-1-yl)butane-2-sulfonate Traditional Name: 4-(5,6-dichloro-3-ethyl-2-methyl-2,3-dihydrobenzimidazol-3-ium-1-yl)butane-2-sulfonate Formula: C14H20Cl2N2O3S MolecularWeight: 367.2912

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C(N(C2=CC(=C(C=C21)Cl)Cl)CCC(C)S(=O)(=O)[O-])C

Isomeric SMILES

CC[NH+]1C(N(C2=CC(=C(C=C21)Cl)Cl)CCC(C)S(=O)(=O)[O-])C

InChI

InChI=1S/C14H20Cl2N2O3S/c1-4-17-10(3)18(6-5-9(2)22(19,20)21)14-8-12(16)11(15)7-13(14)17/h7-10H,4-6H2,1-3H3,(H,19,20,21)