2-[3-[(4-azanyl-6-methyl-pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate

Systemtic Name: 2-[3-[(4-azanyl-6-methyl-pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate Openeye Name: 2-[3-[(4-amino-6-methyl-3-pyridyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate CAS Name: 2-[3-[(4-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl phosphono hydrogen phosphate IUPAC Name: 2-[3-[(4-amino-6-methylpyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate Traditional Name: 2-[3-[(4-amino-6-methyl-3-pyridyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate Formula: C13H20N3O7P2S+ MolecularWeight: 424.326322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1)N)C[N+]2=CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1)N)C[N+]2=CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C13H19N3O7P2S/c1-9-5-12(14)11(6-15-9)7-16-8-26-13(10(16)2)3-4-22-25(20,21)23-24(17,18)19/h5-6,8H,3-4,7H2,1-2H3,(H4-,14,15,17,18,19,20,21)/p+1