(E)-1-oxidanyl-3-oxidanylidene-1-[(1-phenethylpiperidin-4-yl)-phenyl-amino]but-1-ene-2-diazonium

Systemtic Name: (E)-1-oxidanyl-3-oxidanylidene-1-[(1-phenethylpiperidin-4-yl)-phenyl-amino]but-1-ene-2-diazonium Openeye Name: (E)-1-hydroxy-3-oxo-1-(N-(1-phenethyl-4-piperidyl)anilino)but-1-ene-2-diazonium CAS Name: (E)-1-hydroxy-3-oxo-1-(N-(1-phenethyl-4-piperidinyl)anilino)-1-butene-2-diazonium IUPAC Name: (E)-1-hydroxy-3-oxo-1-(N-(1-phenethylpiperidin-4-yl)anilino)but-1-ene-2-diazonium Traditional Name: (E)-1-hydroxy-3-keto-1-(N-(1-phenethyl-4-piperidyl)anilino)but-1-ene-2-diazonium Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3)O)[N+]#N

Isomeric SMILES

CC(=O)/C(=C(/N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3)\O)/[N+]#N

InChI

InChI=1S/C23H26N4O2/c1-18(28)22(25-24)23(29)27(20-10-6-3-7-11-20)21-13-16-26(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3/p+1