[(1S,5R,6R)-6-acetamido-3-ethoxycarbonyl-5-pentan-3-yloxy-cyclohex-3-en-1-yl]azanium; dihydrogen phosphate

Systemtic Name: [(1S,5R,6R)-6-acetamido-3-ethoxycarbonyl-5-pentan-3-yloxy-cyclohex-3-en-1-yl]azanium; dihydrogen phosphate Openeye Name: [(1S,5R,6R)-6-acetamido-3-ethoxycarbonyl-5-(1-ethylpropoxy)cyclohex-3-en-1-yl]ammonium; dihydrogen phosphate CAS Name: [(1S,5R,6R)-6-acetamido-3-ethoxycarbonyl-5-pentan-3-yloxy-1-cyclohex-3-enyl]ammonium; dihydrogen phosphate IUPAC Name: [(1S,5R,6R)-6-acetamido-3-ethoxycarbonyl-5-pentan-3-yloxycyclohex-3-en-1-yl]azanium; dihydrogen phosphate Traditional Name: [(1S,5R,6R)-6-acetamido-3-carbethoxy-5-(1-ethylpropoxy)cyclohex-3-en-1-yl]ammonium; dihydrogen phosphate Formula: C16H31N2O8P MolecularWeight: 410.399701

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)[NH3+])C(=O)OCC.OP(=O)(O)[O-]

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)[NH3+])C(=O)OCC.OP(=O)(O)[O-]

InChI

InChI=1S/C16H28N2O4.H3O4P/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;1-5(2,3)4/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);(H3,1,2,3,4)/t13-,14+,15+;/m0./s1