[1-oxidanyl-3-(4-phenyl-2-phenylazanyl-1,3-thiazol-3-ium-3-yl)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [1-oxidanyl-3-(4-phenyl-2-phenylazanyl-1,3-thiazol-3-ium-3-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(2-anilino-4-phenyl-thiazol-3-ium-3-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-(2-anilino-4-phenyl-3-thiazol-3-iumyl)-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(2-anilino-4-phenyl-1,3-thiazol-3-ium-3-yl)-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(2-anilino-4-phenyl-thiazol-3-ium-3-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C18H21N2O7P2S+ MolecularWeight: 471.381062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=[N+]2CCC(O)(P(=O)(O)O)P(=O)(O)O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=[N+]2CCC(O)(P(=O)(O)O)P(=O)(O)O)NC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O7P2S/c21-18(28(22,23)24,29(25,26)27)11-12-20-16(14-7-3-1-4-8-14)13-30-17(20)19-15-9-5-2-6-10-15/h1-10,13,21H,11-12H2,(H4,22,23,24,25,26,27)/p+1