N-deuterio-methoxy-N-[2-(2,3,4,5,6-pentadeuteriopyridin-1-ium-1-yl)ethyl]phosphonamidic acid

Systemtic Name: N-deuterio-methoxy-N-[2-(2,3,4,5,6-pentadeuteriopyridin-1-ium-1-yl)ethyl]phosphonamidic acid Openeye Name: N-deuterio-methoxy-N-[2-(2,3,4,5,6-pentadeuteriopyridin-1-ium-1-yl)ethyl]phosphonamidic acid CAS Name: N-deuterio-methoxy-N-[2-(2,3,4,5,6-pentadeuterio-1-pyridin-1-iumyl)ethyl]phosphonamidic acid IUPAC Name: N-deuterio-methoxy-N-[2-(2,3,4,5,6-pentadeuteriopyridin-1-ium-1-yl)ethyl]phosphonamidic acid Traditional Name: N-deuterio-methoxy-N-[2-(2,3,4,5,6-pentadeuteriopyridin-1-ium-1-yl)ethyl]phosphonamidic acid Formula: C8H14N2O3P+ MolecularWeight: 223.219092

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(NCC[N+]1=CC=CC=C1)O

Isomeric SMILES

[2H]C1=C(C(=[N+](C(=C1[2H])[2H])CCN([2H])P(=O)(O)OC)[2H])[2H]

InChI

InChI=1S/C8H13N2O3P/c1-13-14(11,12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8H2,1H3,(H-,9,11,12)/p+1/i2D,3D,4D,6D,7D/hD