2-(1-morpholin-4-ium-4-yl-3-phenyl-prop-2-ynyl)-4-nitro-phenol

Systemtic Name: 2-(1-morpholin-4-ium-4-yl-3-phenyl-prop-2-ynyl)-4-nitro-phenol Openeye Name: 2-(1-morpholin-4-ium-4-yl-3-phenyl-prop-2-ynyl)-4-nitro-phenol CAS Name: 2-[1-(4-morpholin-4-iumyl)-3-phenylprop-2-ynyl]-4-nitrophenol IUPAC Name: 2-(1-morpholin-4-ium-4-yl-3-phenylprop-2-ynyl)-4-nitrophenol Traditional Name: 2-(1-morpholin-4-ium-4-yl-3-phenyl-prop-2-ynyl)-4-nitro-phenol Formula: C19H19N2O4+ MolecularWeight: 339.36516

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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+]1C(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/p+1