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

Systemtic Name: 1-[[2-[ethanoyl-(2-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[2-(N-acetyl-2-ethyl-anilino)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[2-(N-acetyl-2-ethylanilino)-4-thiazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[2-(N-acetyl-2-ethyl-anilino)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(C2=NC(=CS2)C[NH+]3CCC(CC3)C(=O)N)C(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(C2=NC(=CS2)C[NH+]3CCC(CC3)C(=O)N)C(=O)C

InChI

InChI=1S/C20H26N4O2S/c1-3-15-6-4-5-7-18(15)24(14(2)25)20-22-17(13-27-20)12-23-10-8-16(9-11-23)19(21)26/h4-7,13,16H,3,8-12H2,1-2H3,(H2,21,26)/p+1