(3R)-1-(6-cyano-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)hexane-3-sulfonic acid

Systemtic Name: (3R)-1-(6-cyano-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)hexane-3-sulfonic acid Openeye Name: (3R)-1-(6-cyano-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)hexane-3-sulfonic acid CAS Name: (3R)-1-(6-cyano-3-ethyl-2-methyl-1-benzimidazol-3-iumyl)-3-hexanesulfonic acid IUPAC Name: (3R)-1-(6-cyano-3-ethyl-2-methylbenzimidazol-3-ium-1-yl)hexane-3-sulfonic acid Traditional Name: (3R)-1-(6-cyano-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)hexane-3-sulfonic acid Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCN1C(=[N+](C2=C1C=C(C=C2)C#N)CC)C)S(=O)(=O)O

Isomeric SMILES

CCC[C@H](CCN1C(=[N+](C2=C1C=C(C=C2)C#N)CC)C)S(=O)(=O)O

InChI

InChI=1S/C17H23N3O3S/c1-4-6-15(24(21,22)23)9-10-20-13(3)19(5-2)16-8-7-14(12-18)11-17(16)20/h7-8,11,15H,4-6,9-10H2,1-3H3/p+1/t15-/m1/s1