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

Systemtic Name: ethyl 1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H23N4O5S+ MolecularWeight: 419.47472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-2-28-18(25)13-6-8-22(9-7-13)11-17(24)21-19-20-16(12-29-19)14-4-3-5-15(10-14)23(26)27/h3-5,10,12-13H,2,6-9,11H2,1H3,(H,20,21,24)/p+1