4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium; 2,4,6-trinitrophenolate

Systemtic Name: 4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium; 2,4,6-trinitrophenolate Openeye Name: 4-[1-(2-phenylethynyl)allyl]morpholin-4-ium; 2,4,6-trinitrophenolate CAS Name: 4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium; 2,4,6-trinitrophenolate IUPAC Name: 4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium; 2,4,6-trinitrophenolate Traditional Name: 4-[1-(2-phenylethynyl)allyl]morpholin-4-ium picrate Formula: C21H20N4O8 MolecularWeight: 456.4055

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C#CC1=CC=CC=C1)[NH+]2CCOCC2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C=CC(C#CC1=CC=CC=C1)[NH+]2CCOCC2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H17NO.C6H3N3O7/c1-2-15(16-10-12-17-13-11-16)9-8-14-6-4-3-5-7-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7,15H,1,10-13H2;1-2,10H