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

Systemtic Name: (3S)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]piperidin-1-ium-3-carboxylate Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3S/c1-8-7-19-12(13-8)14-10(16)6-15-4-2-3-9(5-15)11(17)18/h7,9H,2-6H2,1H3,(H,17,18)(H,13,14,16)/t9-/m0/s1