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

Systemtic Name: ethyl (3S)-1-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C18H23N3O3S/c1-3-24-17(23)13-5-4-8-21(10-13)11-16(22)20-18-19-14-7-6-12(2)9-15(14)25-18/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,19,20,22)/p+1/t13-/m0/s1