2-[4-(chloromethyl)phenyl]butanenitrile; triphenylphosphanium

Systemtic Name: 2-[4-(chloromethyl)phenyl]butanenitrile; triphenylphosphanium Openeye Name: 2-[4-(chloromethyl)phenyl]butanenitrile; triphenylphosphonium CAS Name: 2-[4-(chloromethyl)phenyl]butanenitrile; triphenylphosphonium IUPAC Name: 2-[4-(chloromethyl)phenyl]butanenitrile; triphenylphosphanium Traditional Name: 2-[4-(chloromethyl)phenyl]butyronitrile; triphenylphosphonium Formula: C29H28ClNP+ MolecularWeight: 456.966081

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C1=CC=C(C=C1)CCl.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C#N)C1=CC=C(C=C1)CCl.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15P.C11H12ClN/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-10(8-13)11-5-3-9(7-12)4-6-11/h1-15H;3-6,10H,2,7H2,1H3/p+1