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

Systemtic Name: ethyl 1-[2-[ethyl-(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[ethyl-(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[ethyl-(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[ethyl-(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[ethyl-(6-methyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C[NH+]3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C[NH+]3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C20H27N3O3S/c1-4-23(20-21-16-7-6-14(3)12-17(16)27-20)18(24)13-22-10-8-15(9-11-22)19(25)26-5-2/h6-7,12,15H,4-5,8-11,13H2,1-3H3/p+1