ethyl 2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-3H-benzimidazol-1-ium-1-carboxylate

Systemtic Name: ethyl 2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-3H-benzimidazol-1-ium-1-carboxylate Openeye Name: ethyl 2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-3H-benzimidazol-1-ium-1-carboxylate CAS Name: 2-[[2-(diethylamino)-2-oxoethyl]thio]-3H-benzimidazol-1-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-3H-benzimidazol-1-ium-1-carboxylate Traditional Name: 2-[[2-(diethylamino)-2-keto-ethyl]thio]-3H-benzimidazol-1-ium-1-carboxylic acid ethyl ester Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=[N+](C2=CC=CC=C2N1)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=O)CSC1=[N+](C2=CC=CC=C2N1)C(=O)OCC

InChI

InChI=1S/C16H21N3O3S/c1-4-18(5-2)14(20)11-23-15-17-12-9-7-8-10-13(12)19(15)16(21)22-6-3/h7-10H,4-6,11H2,1-3H3/p+1