[[2-(1-adamantylamino)-4-methyl-1,3-thiazol-3-ium-3-yl]-phosphono-methyl]phosphonic acid

Systemtic Name: [[2-(1-adamantylamino)-4-methyl-1,3-thiazol-3-ium-3-yl]-phosphono-methyl]phosphonic acid Openeye Name: [[2-(1-adamantylamino)-4-methyl-thiazol-3-ium-3-yl]-phosphono-methyl]phosphonic acid CAS Name: [[2-(1-adamantylamino)-4-methyl-3-thiazol-3-iumyl]-phosphonomethyl]phosphonic acid IUPAC Name: [[2-(1-adamantylamino)-4-methyl-1,3-thiazol-3-ium-3-yl]-phosphonomethyl]phosphonic acid Traditional Name: [[2-(1-adamantylamino)-4-methyl-thiazol-3-ium-3-yl]-phosphono-methyl]phosphonic acid Formula: C15H25N2O6P2S+ MolecularWeight: 423.381322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=[N+]1C(P(=O)(O)O)P(=O)(O)O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CSC(=[N+]1C(P(=O)(O)O)P(=O)(O)O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C15H24N2O6P2S/c1-9-8-26-13(17(9)14(24(18,19)20)25(21,22)23)16-15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12,14H,2-7H2,1H3,(H4,18,19,20,21,22,23)/p+1