[4-(2-cyanobutyl)phenyl]methyl-triphenyl-phosphanium chloride

Systemtic Name: [4-(2-cyanobutyl)phenyl]methyl-triphenyl-phosphanium chloride Openeye Name: [4-(2-cyanobutyl)phenyl]methyl-triphenyl-phosphonium chloride CAS Name: [4-(2-cyanobutyl)phenyl]methyl-triphenylphosphonium chloride IUPAC Name: [4-(2-cyanobutyl)phenyl]methyl-triphenylphosphanium chloride Traditional Name: [4-(2-cyanobutyl)benzyl]-triphenyl-phosphonium chloride Formula: C30H29ClNP MolecularWeight: 469.984721

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N.[Cl-]

Isomeric SMILES

CCC(CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N.[Cl-]

InChI

InChI=1S/C30H29NP.ClH/c1-2-25(23-31)22-26-18-20-27(21-19-26)24-32(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30;/h3-21,25H,2,22,24H2,1H3;1H/q+1;/p-1