2-[1-[3-(dimethylazaniumyl)propyl]benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-[3-(dimethylazaniumyl)propyl]benzimidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-[3-(dimethylammonio)propyl]benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[3-(dimethylammonio)propyl]-2-benzimidazolyl]thio]acetate IUPAC Name: 2-[1-[3-(dimethylazaniumyl)propyl]benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[3-(dimethylammonio)propyl]benzimidazol-2-yl]thio]acetate Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=CC=CC=C2N=C1SCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCN1C2=CC=CC=C2N=C1SCC(=O)[O-]

InChI

InChI=1S/C14H19N3O2S/c1-16(2)8-5-9-17-12-7-4-3-6-11(12)15-14(17)20-10-13(18)19/h3-4,6-7H,5,8-10H2,1-2H3,(H,18,19)