1-[2-[1-(1-phosphonoethyl)pyrazin-1-ium-2-yl]pyrazin-1-ium-1-yl]ethylphosphonic acid dichloride

Systemtic Name: 1-[2-[1-(1-phosphonoethyl)pyrazin-1-ium-2-yl]pyrazin-1-ium-1-yl]ethylphosphonic acid dichloride Openeye Name: 1-[2-[1-(1-phosphonoethyl)pyrazin-1-ium-2-yl]pyrazin-1-ium-1-yl]ethylphosphonic acid dichloride CAS Name: 1-[2-[1-(1-phosphonoethyl)-2-pyrazin-1-iumyl]-1-pyrazin-1-iumyl]ethylphosphonic acid dichloride IUPAC Name: 1-[2-[1-(1-phosphonoethyl)pyrazin-1-ium-2-yl]pyrazin-1-ium-1-yl]ethylphosphonic acid dichloride Traditional Name: 1-[2-[1-(1-phosphonoethyl)pyrazin-1-ium-2-yl]pyrazin-1-ium-1-yl]ethylphosphonic acid dichloride Formula: C12H18Cl2N4O6P2 MolecularWeight: 447.148042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1=C(C=NC=C1)C2=[N+](C=CN=C2)C(C)P(=O)(O)O)P(=O)(O)O.[Cl-].[Cl-]

Isomeric SMILES

CC([N+]1=C(C=NC=C1)C2=[N+](C=CN=C2)C(C)P(=O)(O)O)P(=O)(O)O.[Cl-].[Cl-]

InChI

InChI=1S/C12H16N4O6P2.2ClH/c1-9(23(17,18)19)15-5-3-13-7-11(15)12-8-14-4-6-16(12)10(2)24(20,21)22;;/h3-10H,1-2H3,(H2-2,17,18,19,20,21,22);2*1H