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

Systemtic Name: ethyl 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)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:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H24N4O3S/c1-3-25-18(24)22-10-8-21(9-11-22)13-17(23)20(2)12-16-19-14-6-4-5-7-15(14)26-16/h4-7H,3,8-13H2,1-2H3/p+1