(E)-2-diazonio-3-oxidanylidene-1-[(1-phenethylpiperidin-4-yl)-phenyl-amino]but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-3-oxidanylidene-1-[(1-phenethylpiperidin-4-yl)-phenyl-amino]but-1-en-1-olate Openeye Name: (E)-2-diazonio-3-oxo-1-(N-(1-phenethyl-4-piperidyl)anilino)but-1-en-1-olate CAS Name: (E)-2-diazonio-3-oxo-1-(N-(1-phenethyl-4-piperidinyl)anilino)-1-buten-1-olate IUPAC Name: (E)-2-diazonio-3-oxo-1-(N-(1-phenethylpiperidin-4-yl)anilino)but-1-en-1-olate Traditional Name: (E)-2-diazonio-3-keto-1-(N-(1-phenethyl-4-piperidyl)anilino)but-1-en-1-olate Formula: C23H26N4O2 MolecularWeight: 390.47814

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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