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

Systemtic Name: ethyl 1-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-3-27-19(25)15-8-10-23(11-9-15)12-18(24)22-20-21-17(13-28-20)14-4-6-16(26-2)7-5-14/h4-7,13,15H,3,8-12H2,1-2H3,(H,21,22,24)/p+1