ethyl 4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H23N4O4S+ MolecularWeight: 379.45392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C17H22N4O4S/c1-3-25-17(23)21-8-6-20(7-9-21)11-15(22)19-16-18-13-5-4-12(24-2)10-14(13)26-16/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,19,22)/p+1