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

Systemtic Name: 1-[[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[2-[2-(4-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[2-[2-keto-2-(p-toluidino)ethyl]thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C19H24N4O2S/c1-13-2-4-15(5-3-13)21-17(24)10-18-22-16(12-26-18)11-23-8-6-14(7-9-23)19(20)25/h2-5,12,14H,6-11H2,1H3,(H2,20,25)(H,21,24)/p+1