1,3-bis(3-ethylhexan-3-yl)-5-methyl-5-phenyl-1,3,5-diazaphosphinan-5-ium iodide

Systemtic Name: 1,3-bis(3-ethylhexan-3-yl)-5-methyl-5-phenyl-1,3,5-diazaphosphinan-5-ium iodide Openeye Name: 1,3-bis(1,1-diethylbutyl)-5-methyl-5-phenyl-1,3,5-diazaphosphinan-5-ium iodide CAS Name: 1,3-bis(3-ethylhexan-3-yl)-5-methyl-5-phenyl-1,3,5-diazaphosphorinan-5-ium iodide IUPAC Name: 1,3-bis(3-ethylhexan-3-yl)-5-methyl-5-phenyl-1,3,5-diazaphosphinan-5-ium iodide Traditional Name: 1,3-bis(1,1-diethylbutyl)-5-methyl-5-phenyl-1,3,5-diazaphosphorinan-5-ium iodide Formula: C26H48IN2P MolecularWeight: 546.550951

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)(CC)N1CN(C[P+](C1)(C)C2=CC=CC=C2)C(CC)(CC)CCC.[I-]

Isomeric SMILES

CCCC(CC)(CC)N1CN(C[P+](C1)(C)C2=CC=CC=C2)C(CC)(CC)CCC.[I-]

InChI

InChI=1S/C26H48N2P.HI/c1-8-19-25(10-3,11-4)27-21-28(26(12-5,13-6)20-9-2)23-29(7,22-27)24-17-15-14-16-18-24;/h14-18H,8-13,19-23H2,1-7H3;1H/q+1;/p-1