[3-(3-cyanobutyl)phenyl]methyl-triphenyl-phosphanium chloride

Systemtic Name: [3-(3-cyanobutyl)phenyl]methyl-triphenyl-phosphanium chloride Openeye Name: [3-(3-cyanobutyl)phenyl]methyl-triphenyl-phosphonium chloride CAS Name: [3-(3-cyanobutyl)phenyl]methyl-triphenylphosphonium chloride IUPAC Name: [3-(3-cyanobutyl)phenyl]methyl-triphenylphosphanium chloride Traditional Name: [3-(3-cyanobutyl)benzyl]-triphenyl-phosphonium chloride Formula: C30H29ClNP MolecularWeight: 469.984721

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=CC=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N.[Cl-]

Isomeric SMILES

CC(CCC1=CC(=CC=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N.[Cl-]

InChI

InChI=1S/C30H29NP.ClH/c1-25(23-31)20-21-26-12-11-13-27(22-26)24-32(28-14-5-2-6-15-28,29-16-7-3-8-17-29)30-18-9-4-10-19-30;/h2-19,22,25H,20-21,24H2,1H3;1H/q+1;/p-1