ethyl 4-[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H25N4O3S+ MolecularWeight: 377.4811

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C18H24N4O3S/c1-3-22(17-19-14-7-5-6-8-15(14)26-17)16(23)13-20-9-11-21(12-10-20)18(24)25-4-2/h5-8H,3-4,9-13H2,1-2H3/p+1