[2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-[4-[2-(dimethylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl] ester Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C(=O)COC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C(=O)COC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C19H23N3O4S/c1-20(2)17(23)12-21-7-9-22(10-8-21)18(24)13-26-19(25)16-11-14-5-3-4-6-15(14)27-16/h3-6,11H,7-10,12-13H2,1-2H3/p+1