(Z,3S)-5-methyl-2-oxidanyl-3-(phenylmethoxycarbonylamino)hex-1-ene-1-diazonium

Systemtic Name: (Z,3S)-5-methyl-2-oxidanyl-3-(phenylmethoxycarbonylamino)hex-1-ene-1-diazonium Openeye Name: (Z,3S)-3-(benzyloxycarbonylamino)-2-hydroxy-5-methyl-hex-1-ene-1-diazonium CAS Name: (Z,3S)-2-hydroxy-5-methyl-3-(phenylmethoxycarbonylamino)-1-hexene-1-diazonium IUPAC Name: (Z,3S)-2-hydroxy-5-methyl-3-(phenylmethoxycarbonylamino)hex-1-ene-1-diazonium Traditional Name: (Z,3S)-3-(benzyloxycarbonylamino)-2-hydroxy-5-methyl-hex-1-ene-1-diazonium Formula: C15H20N3O3+ MolecularWeight: 290.3376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=C[N+]#N)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](/C(=C/[N+]#N)/O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H19N3O3/c1-11(2)8-13(14(19)9-17-16)18-15(20)21-10-12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H-,18,19,20)/p+1/b14-9-/t13-/m0/s1