2,3-bis(oxidanyl)propyl phosphate; N,N-dimethylpyridin-1-ium-4-amine

Systemtic Name: 2,3-bis(oxidanyl)propyl phosphate; N,N-dimethylpyridin-1-ium-4-amine Openeye Name: 2,3-dihydroxypropyl phosphate; N,N-dimethylpyridin-1-ium-4-amine CAS Name: 2,3-dihydroxypropyl phosphate; N,N-dimethyl-4-pyridin-1-iumamine IUPAC Name: 2,3-dihydroxypropyl phosphate; N,N-dimethylpyridin-1-ium-4-amine Traditional Name: dimethyl(pyridin-1-ium-4-yl)amine; glyceryl phosphate Formula: C17H29N4O6P MolecularWeight: 416.409121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[NH+]C=C1.CN(C)C1=CC=[NH+]C=C1.C(C(COP(=O)([O-])[O-])O)O

Isomeric SMILES

CN(C)C1=CC=[NH+]C=C1.CN(C)C1=CC=[NH+]C=C1.C(C(COP(=O)([O-])[O-])O)O

InChI

InChI=1S/2C7H10N2.C3H9O6P/c2*1-9(2)7-3-5-8-6-4-7;4-1-3(5)2-9-10(6,7)8/h2*3-6H,1-2H3;3-5H,1-2H2,(H2,6,7,8)