5-butyl-5-phenyl-1,3-bis(phenylmethyl)-1,3,5-diazaphosphinane-1,5-diium bromide

Systemtic Name: 5-butyl-5-phenyl-1,3-bis(phenylmethyl)-1,3,5-diazaphosphinane-1,5-diium bromide Openeye Name: 1,3-dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinane-1,5-diium bromide CAS Name: 5-butyl-5-phenyl-1,3-bis(phenylmethyl)-1,3,5-diazaphosphorinane-1,5-diium bromide IUPAC Name: 1,3-dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinane-1,5-diium bromide Traditional Name: 1,3-dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphorinane-1,5-diium bromide Formula: C27H35BrN2P+ MolecularWeight: 498.457961

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+]1(C[NH+](CN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCC[P+]1(C[NH+](CN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H34N2P.BrH/c1-2-3-19-30(27-17-11-6-12-18-27)23-28(20-25-13-7-4-8-14-25)22-29(24-30)21-26-15-9-5-10-16-26;/h4-18H,2-3,19-24H2,1H3;1H/q+1;