5-(2-methylpropyl)-5-phenyl-1,3-bis(phenylmethyl)-1,3,5-diazaphosphinan-5-ium iodide

Systemtic Name: 5-(2-methylpropyl)-5-phenyl-1,3-bis(phenylmethyl)-1,3,5-diazaphosphinan-5-ium iodide Openeye Name: 1,3-dibenzyl-5-isobutyl-5-phenyl-1,3,5-diazaphosphinan-5-ium iodide CAS Name: 5-(2-methylpropyl)-5-phenyl-1,3-bis(phenylmethyl)-1,3,5-diazaphosphorinan-5-ium iodide IUPAC Name: 1,3-dibenzyl-5-(2-methylpropyl)-5-phenyl-1,3,5-diazaphosphinan-5-ium iodide Traditional Name: 1,3-dibenzyl-5-isobutyl-5-phenyl-1,3,5-diazaphosphorinan-5-ium iodide Formula: C27H34IN2P MolecularWeight: 544.450491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2P.HI/c1-24(2)20-30(27-16-10-5-11-17-27)22-28(18-25-12-6-3-7-13-25)21-29(23-30)19-26-14-8-4-9-15-26;/h3-17,24H,18-23H2,1-2H3;1H/q+1;/p-1