[(4-methoxyphenyl)methyl-phenyl-amino]-triphenyl-phosphanium bromide hydrate

Systemtic Name: [(4-methoxyphenyl)methyl-phenyl-amino]-triphenyl-phosphanium bromide hydrate Openeye Name: [N-[(4-methoxyphenyl)methyl]anilino]-triphenyl-phosphonium bromide hydrate CAS Name: [N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphonium bromide hydrate IUPAC Name: [N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium bromide hydrate Traditional Name: (N-p-anisylanilino)-triphenyl-phosphonium bromide hydrate Formula: C32H31BrNO2P MolecularWeight: 572.471801

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.O.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.O.[Br-]

InChI

InChI=1S/C32H29NOP.BrH.H2O/c1-34-29-24-22-27(23-25-29)26-33(28-14-6-2-7-15-28)35(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32;;/h2-25H,26H2,1H3;1H;1H2/q+1;;/p-1