(E)-1-diazonio-3-[3-methyl-2-oxidanylidene-1-(phenylmethyl)piperidin-3-yl]prop-1-en-2-olate

Systemtic Name: (E)-1-diazonio-3-[3-methyl-2-oxidanylidene-1-(phenylmethyl)piperidin-3-yl]prop-1-en-2-olate Openeye Name: (E)-3-(1-benzyl-3-methyl-2-oxo-3-piperidyl)-1-diazonio-prop-1-en-2-olate CAS Name: (E)-1-diazonio-3-[3-methyl-2-oxo-1-(phenylmethyl)-3-piperidinyl]-1-propen-2-olate IUPAC Name: (E)-3-(1-benzyl-3-methyl-2-oxopiperidin-3-yl)-1-diazonioprop-1-en-2-olate Traditional Name: (E)-3-(1-benzyl-2-keto-3-methyl-3-piperidyl)-1-diazonio-prop-1-en-2-olate Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1=O)CC2=CC=CC=C2)CC(=C[N+]#N)[O-]

Isomeric SMILES

CC1(CCCN(C1=O)CC2=CC=CC=C2)C/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C16H19N3O2/c1-16(10-14(20)11-18-17)8-5-9-19(15(16)21)12-13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10,12H2,1H3/b14-11+