3-(4-methyl-2-phenylazanyl-1,3-thiazol-3-ium-3-yl)-1,1-diphosphonato-propan-1-ol

Systemtic Name: 3-(4-methyl-2-phenylazanyl-1,3-thiazol-3-ium-3-yl)-1,1-diphosphonato-propan-1-ol Openeye Name: 3-(2-anilino-4-methyl-thiazol-3-ium-3-yl)-1,1-diphosphonato-propan-1-ol CAS Name: 3-(2-anilino-4-methyl-3-thiazol-3-iumyl)-1,1-diphosphonato-1-propanol IUPAC Name: 3-(2-anilino-4-methyl-1,3-thiazol-3-ium-3-yl)-1,1-diphosphonatopropan-1-ol Traditional Name: 3-(2-anilino-4-methyl-thiazol-3-ium-3-yl)-1,1-diphosphonato-propan-1-ol Formula: C13H15N2O7P2S-3 MolecularWeight: 405.279922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=[N+]1CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])NC2=CC=CC=C2

Isomeric SMILES

CC1=CSC(=[N+]1CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])NC2=CC=CC=C2

InChI

InChI=1S/C13H18N2O7P2S/c1-10-9-25-12(14-11-5-3-2-4-6-11)15(10)8-7-13(16,23(17,18)19)24(20,21)22/h2-6,9,16H,7-8H2,1H3,(H4,17,18,19,20,21,22)/p-3