4-[2-[2-[[1-[(3,4-dichlorophenyl)methyl]-1-oxidanidyl-piperidin-1-ium-4-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 4-[2-[2-[[1-[(3,4-dichlorophenyl)methyl]-1-oxidanidyl-piperidin-1-ium-4-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]benzoic acid Openeye Name: 4-[2-[2-[[1-[(3,4-dichlorophenyl)methyl]-1-oxido-piperidin-1-ium-4-yl]amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]benzoic acid CAS Name: 4-[2-[[2-[[1-[(3,4-dichlorophenyl)methyl]-1-oxido-4-piperidin-1-iumyl]amino]-2-oxoethyl]thio]-4-thiazolyl]benzoic acid IUPAC Name: 4-[2-[2-[[1-[(3,4-dichlorophenyl)methyl]-1-oxidopiperidin-1-ium-4-yl]amino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]benzoic acid Traditional Name: 4-[2-[[2-[[1-(3,4-dichlorobenzyl)-1-oxido-piperidin-1-ium-4-yl]amino]-2-keto-ethyl]thio]thiazol-4-yl]benzoic acid Formula: C24H23Cl2N3O4S2 MolecularWeight: 552.49312

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1NC(=O)CSC2=NC(=CS2)C3=CC=C(C=C3)C(=O)O)(CC4=CC(=C(C=C4)Cl)Cl)[O-]

Isomeric SMILES

C1C[N+](CCC1NC(=O)CSC2=NC(=CS2)C3=CC=C(C=C3)C(=O)O)(CC4=CC(=C(C=C4)Cl)Cl)[O-]

InChI

InChI=1S/C24H23Cl2N3O4S2/c25-19-6-1-15(11-20(19)26)12-29(33)9-7-18(8-10-29)27-22(30)14-35-24-28-21(13-34-24)16-2-4-17(5-3-16)23(31)32/h1-6,11,13,18H,7-10,12,14H2,(H,27,30)(H,31,32)