(3S)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-[(4,5-dimethylthiazol-2-yl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[(4,5-dimethylthiazol-2-yl)amino]-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C[NH+]2CCCC(C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-])C

InChI

InChI=1S/C13H19N3O3S/c1-8-9(2)20-13(14-8)15-11(17)7-16-5-3-4-10(6-16)12(18)19/h10H,3-7H2,1-2H3,(H,18,19)(H,14,15,17)/t10-/m0/s1