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

Systemtic Name: 3-(6-cyano-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(6-cyano-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(6-cyano-3-ethyl-2-methyl-1-benzimidazol-3-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(6-cyano-3-ethyl-2-methylbenzimidazol-3-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(6-cyano-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonic acid Formula: C14H18N3O3S+ MolecularWeight: 308.37602

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C#N)CCCS(=O)(=O)O)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C#N)CCCS(=O)(=O)O)C

InChI

InChI=1S/C14H17N3O3S/c1-3-16-11(2)17(7-4-8-21(18,19)20)14-9-12(10-15)5-6-13(14)16/h5-6,9H,3-4,7-8H2,1-2H3/p+1