methyl 1-[[2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[2-(N-acetylanilino)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(N-acetylanilino)-4-thiazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(N-acetylanilino)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H23N3O3S/c1-14(23)22(17-6-4-3-5-7-17)19-20-16(13-26-19)12-21-10-8-15(9-11-21)18(24)25-2/h3-7,13,15H,8-12H2,1-2H3/p+1