diazanium N-[(1R,2R,6S)-6-azanyl-2-pentan-3-yloxy-4-phosphonato-cyclohex-3-en-1-yl]ethanamide

Systemtic Name: diazanium N-[(1R,2R,6S)-6-azanyl-2-pentan-3-yloxy-4-phosphonato-cyclohex-3-en-1-yl]ethanamide Openeye Name: diammonium N-[(1R,2R,6S)-6-amino-2-(1-ethylpropoxy)-4-phosphonato-cyclohex-3-en-1-yl]acetamide CAS Name: diammonium N-[(1R,2R,6S)-6-amino-2-pentan-3-yloxy-4-phosphonato-1-cyclohex-3-enyl]acetamide IUPAC Name: diazanium N-[(1R,2R,6S)-6-amino-2-pentan-3-yloxy-4-phosphonatocyclohex-3-en-1-yl]acetamide Traditional Name: diammonium N-[(1R,2R,6S)-6-amino-2-(1-ethylpropoxy)-4-phosphonato-cyclohex-3-en-1-yl]acetamide Formula: C13H31N4O5P MolecularWeight: 354.382801

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)N)P(=O)([O-])[O-].[NH4+].[NH4+]

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)([O-])[O-].[NH4+].[NH4+]

InChI

InChI=1S/C13H25N2O5P.2H3N/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16;;/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H2,17,18,19);2*1H3/t11-,12+,13+;;/m0../s1