(E)-1-(1-carboxy-4-phenyl-piperidin-4-yl)-2-diazonio-ethenolate

Systemtic Name: (E)-1-(1-carboxy-4-phenyl-piperidin-4-yl)-2-diazonio-ethenolate Openeye Name: (E)-1-(1-carboxy-4-phenyl-4-piperidyl)-2-diazonio-ethenolate CAS Name: (E)-1-(1-carboxy-4-phenyl-4-piperidinyl)-2-diazonioethenolate IUPAC Name: (E)-1-(1-carboxy-4-phenylpiperidin-4-yl)-2-diazonioethenolate Traditional Name: (E)-1-(1-carboxy-4-phenyl-4-piperidyl)-2-diazonio-ethenolate Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3/c15-16-10-12(18)14(11-4-2-1-3-5-11)6-8-17(9-7-14)13(19)20/h1-5,10H,6-9H2,(H-,18,19,20)/b12-10+