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

Systemtic Name: 1-[2-oxidanylidene-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-[(4-isopropylthiazol-2-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[(4-propan-2-yl-2-thiazolyl)amino]ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(4-isopropylthiazol-2-yl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CSC(=N1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C14H21N3O3S/c1-9(2)11-8-21-14(15-11)16-12(18)7-17-5-3-10(4-6-17)13(19)20/h8-10H,3-7H2,1-2H3,(H,19,20)(H,15,16,18)