(E)-3-[3-methyl-2-oxidanylidene-1-(phenylmethyl)piperidin-3-yl]-2-oxidanyl-prop-1-ene-1-diazonium

Systemtic Name: (E)-3-[3-methyl-2-oxidanylidene-1-(phenylmethyl)piperidin-3-yl]-2-oxidanyl-prop-1-ene-1-diazonium Openeye Name: (E)-3-(1-benzyl-3-methyl-2-oxo-3-piperidyl)-2-hydroxy-prop-1-ene-1-diazonium CAS Name: (E)-2-hydroxy-3-[3-methyl-2-oxo-1-(phenylmethyl)-3-piperidinyl]-1-propene-1-diazonium IUPAC Name: (E)-3-(1-benzyl-3-methyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium Traditional Name: (E)-3-(1-benzyl-2-keto-3-methyl-3-piperidyl)-2-hydroxy-prop-1-ene-1-diazonium Formula: C16H20N3O2+ MolecularWeight: 286.3489

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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/p+1/b14-11+