5-methyl-1-phenyl-1-(phenylmethyl)phosphocan-1-ium bromide

Systemtic Name: 5-methyl-1-phenyl-1-(phenylmethyl)phosphocan-1-ium bromide Openeye Name: 1-benzyl-5-methyl-1-phenyl-phosphocan-1-ium bromide CAS Name: 5-methyl-1-phenyl-1-(phenylmethyl)phosphocan-1-ium bromide IUPAC Name: 1-benzyl-5-methyl-1-phenylphosphocan-1-ium bromide Traditional Name: 1-benzyl-5-methyl-1-phenyl-phosphocan-1-ium bromide Formula: C21H28BrP MolecularWeight: 391.324781

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[P+](CCC1)(CC2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1CCC[P+](CCC1)(CC2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H28P.BrH/c1-19-10-8-16-22(17-9-11-19,21-14-6-3-7-15-21)18-20-12-4-2-5-13-20;/h2-7,12-15,19H,8-11,16-18H2,1H3;1H/q+1;/p-1