2-[(1R)-1-morpholin-4-ium-4-yl-3-phenyl-prop-2-ynyl]-4-nitro-phenolate

Systemtic Name: 2-[(1R)-1-morpholin-4-ium-4-yl-3-phenyl-prop-2-ynyl]-4-nitro-phenolate Openeye Name: 2-[(1R)-1-morpholin-4-ium-4-yl-3-phenyl-prop-2-ynyl]-4-nitro-phenolate CAS Name: 2-[(1R)-1-(4-morpholin-4-iumyl)-3-phenylprop-2-ynyl]-4-nitrophenolate IUPAC Name: 2-[(1R)-1-morpholin-4-ium-4-yl-3-phenylprop-2-ynyl]-4-nitrophenolate Traditional Name: 2-[(1R)-1-morpholin-4-ium-4-yl-3-phenyl-prop-2-ynyl]-4-nitro-phenolate Formula: C19H18N2O4 MolecularWeight: 338.35722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(C#CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1COCC[NH+]1[C@H](C#CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H18N2O4/c22-19-9-7-16(21(23)24)14-17(19)18(20-10-12-25-13-11-20)8-6-15-4-2-1-3-5-15/h1-5,7,9,14,18,22H,10-13H2/t18-/m1/s1