2-[1-[2-(diethylazaniumyl)ethyl]benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-[2-(diethylazaniumyl)ethyl]benzimidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-[2-(diethylammonio)ethyl]benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[2-(diethylammonio)ethyl]-2-benzimidazolyl]thio]acetate IUPAC Name: 2-[1-[2-(diethylazaniumyl)ethyl]benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[2-(diethylammonio)ethyl]benzimidazol-2-yl]thio]acetate Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1SCC(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1SCC(=O)[O-]

InChI

InChI=1S/C15H21N3O2S/c1-3-17(4-2)9-10-18-13-8-6-5-7-12(13)16-15(18)21-11-14(19)20/h5-8H,3-4,9-11H2,1-2H3,(H,19,20)