4-azanyl-1-[(E)-4-diethoxyphosphoryl-1-(oxan-2-yloxy)but-3-enyl]-1-ethanoyl-pyrimidin-1-ium-2-one

Systemtic Name: 4-azanyl-1-[(E)-4-diethoxyphosphoryl-1-(oxan-2-yloxy)but-3-enyl]-1-ethanoyl-pyrimidin-1-ium-2-one Openeye Name: 1-acetyl-4-amino-1-[(E)-4-diethoxyphosphoryl-1-tetrahydropyran-2-yloxy-but-3-enyl]pyrimidin-1-ium-2-one CAS Name: 1-acetyl-4-amino-1-[(E)-4-diethoxyphosphoryl-1-(2-oxanyloxy)but-3-enyl]-2-pyrimidin-1-iumone IUPAC Name: 1-acetyl-4-amino-1-[(E)-4-diethoxyphosphoryl-1-(oxan-2-yloxy)but-3-enyl]pyrimidin-1-ium-2-one Traditional Name: 1-acetyl-4-amino-1-[(E)-4-diethoxyphosphoryl-1-tetrahydropyran-2-yloxy-but-3-enyl]pyrimidin-1-ium-2-one Formula: C19H31N3O7P+ MolecularWeight: 444.439101

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CCC([N+]1(C=CC(=NC1=O)N)C(=O)C)OC2CCCCO2)OCC

Isomeric SMILES

CCOP(=O)(/C=C/CC([N+]1(C=CC(=NC1=O)N)C(=O)C)OC2CCCCO2)OCC

InChI

InChI=1S/C19H30N3O7P/c1-4-27-30(25,28-5-2)14-8-9-17(29-18-10-6-7-13-26-18)22(15(3)23)12-11-16(20)21-19(22)24/h8,11-12,14,17-18H,4-7,9-10,13H2,1-3H3,(H-,20,21,24)/p+1/b14-8+