(E)-3-[1-(2-ethenylphenyl)carbonyl-3-ethyl-2-oxidanylidene-piperidin-3-yl]-1-ethoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium

Systemtic Name: (E)-3-[1-(2-ethenylphenyl)carbonyl-3-ethyl-2-oxidanylidene-piperidin-3-yl]-1-ethoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (E)-1-ethoxy-3-[3-ethyl-2-oxo-1-(2-vinylbenzoyl)-3-piperidyl]-1-hydroxy-3-oxo-prop-1-ene-2-diazonium CAS Name: (E)-3-[1-[(2-ethenylphenyl)-oxomethyl]-3-ethyl-2-oxo-3-piperidinyl]-1-ethoxy-1-hydroxy-3-oxo-1-propene-2-diazonium IUPAC Name: (E)-3-[1-(2-ethenylbenzoyl)-3-ethyl-2-oxopiperidin-3-yl]-1-ethoxy-1-hydroxy-3-oxoprop-1-ene-2-diazonium Traditional Name: (E)-1-ethoxy-3-[3-ethyl-2-keto-1-(2-vinylbenzoyl)-3-piperidyl]-1-hydroxy-3-keto-prop-1-ene-2-diazonium Formula: C21H24N3O5+ MolecularWeight: 398.43236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCN(C1=O)C(=O)C2=CC=CC=C2C=C)C(=O)C(=C(O)OCC)[N+]#N

Isomeric SMILES

CCC1(CCCN(C1=O)C(=O)C2=CC=CC=C2C=C)C(=O)/C(=C(/O)\OCC)/[N+]#N

InChI

InChI=1S/C21H23N3O5/c1-4-14-10-7-8-11-15(14)18(26)24-13-9-12-21(5-2,20(24)28)17(25)16(23-22)19(27)29-6-3/h4,7-8,10-11H,1,5-6,9,12-13H2,2-3H3/p+1