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

Systemtic Name: ethyl 1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-oxo-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[4-(4-methylphenyl)-2-thiazolyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-3-26-19(25)16-8-10-23(11-9-16)12-18(24)22-20-21-17(13-27-20)15-6-4-14(2)5-7-15/h4-7,13,16H,3,8-12H2,1-2H3,(H,21,22,24)/p+1