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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O7P2S/c1-9-3-4-11(13(14)15-9)7-16-8-26-12(10(16)2)5-6-22-25(20,21)23-24(17,18)19/h3-4,8H,5-7H2,1-2H3,(H4-,14,15,17,18,19,20,21)/p+1