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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

InChI

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