[4-cyano-3-oxidanylidene-4-(triphenyl-$l^{5}-phosphanylidene)butyl]azanium bromide hydrate

Systemtic Name: [4-cyano-3-oxidanylidene-4-(triphenyl-$l^{5}-phosphanylidene)butyl]azanium bromide hydrate Openeye Name: [4-cyano-3-oxo-4-(triphenyl-$l^{5}-phosphanylidene)butyl]ammonium bromide hydrate CAS Name: (4-cyano-3-oxo-4-triphenylphosphoranylidenebutyl)ammonium bromide hydrate IUPAC Name: [4-cyano-3-oxo-4-(triphenyl-$l^{5}-phosphanylidene)butyl]azanium bromide hydrate Traditional Name: (4-cyano-3-keto-4-triphenylphosphoranylidene-butyl)ammonium bromide hydrate Formula: C23H24BrN2O2P MolecularWeight: 471.326621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=C(C#N)C(=O)CC[NH3+])(C2=CC=CC=C2)C3=CC=CC=C3.O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)P(=C(C#N)C(=O)CC[NH3+])(C2=CC=CC=C2)C3=CC=CC=C3.O.[Br-]

InChI

InChI=1S/C23H21N2OP.BrH.H2O/c24-17-16-22(26)23(18-25)27(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;;/h1-15H,16-17,24H2;1H;1H2