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

Systemtic Name: 1-[[2-[(3-chlorophenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[2-(N-acetyl-3-chloro-anilino)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[2-(N-acetyl-3-chloroanilino)-4-thiazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[2-(N-acetyl-3-chloro-anilino)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C18H22ClN4O2S+ MolecularWeight: 393.91088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O2S/c1-12(24)23(16-4-2-3-14(19)9-16)18-21-15(11-26-18)10-22-7-5-13(6-8-22)17(20)25/h2-4,9,11,13H,5-8,10H2,1H3,(H2,20,25)/p+1