(E)-1-diazonio-3-(3,4-dichlorophenyl)-5-(4-oxidanyl-4-phenyl-piperidin-1-yl)pent-1-en-2-olate

Systemtic Name: (E)-1-diazonio-3-(3,4-dichlorophenyl)-5-(4-oxidanyl-4-phenyl-piperidin-1-yl)pent-1-en-2-olate Openeye Name: (E)-1-diazonio-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenyl-1-piperidyl)pent-1-en-2-olate CAS Name: (E)-1-diazonio-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenyl-1-piperidinyl)-1-penten-2-olate IUPAC Name: (E)-1-diazonio-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)pent-1-en-2-olate Traditional Name: (E)-1-diazonio-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenyl-piperidino)pent-1-en-2-olate Formula: C22H23Cl2N3O2 MolecularWeight: 432.34292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)O)CCC(C3=CC(=C(C=C3)Cl)Cl)C(=C[N+]#N)[O-]

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)O)CCC(C3=CC(=C(C=C3)Cl)Cl)/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C22H23Cl2N3O2/c23-19-7-6-16(14-20(19)24)18(21(28)15-26-25)8-11-27-12-9-22(29,10-13-27)17-4-2-1-3-5-17/h1-7,14-15,18,29H,8-13H2/b21-15+