[3-[2-cyanopropyl(methyl)amino]phenyl]methyl-triphenyl-phosphanium chloride

Systemtic Name: [3-[2-cyanopropyl(methyl)amino]phenyl]methyl-triphenyl-phosphanium chloride Openeye Name: [3-[2-cyanopropyl(methyl)amino]phenyl]methyl-triphenyl-phosphonium chloride CAS Name: [3-[2-cyanopropyl(methyl)amino]phenyl]methyl-triphenylphosphonium chloride IUPAC Name: [3-[2-cyanopropyl(methyl)amino]phenyl]methyl-triphenylphosphanium chloride Traditional Name: [3-[2-cyanopropyl(methyl)amino]benzyl]-triphenyl-phosphonium chloride Formula: C30H30ClN2P MolecularWeight: 484.999361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N2P.ClH/c1-25(22-31)23-32(2)27-14-12-13-26(21-27)24-33(28-15-6-3-7-16-28,29-17-8-4-9-18-29)30-19-10-5-11-20-30;/h3-21,25H,23-24H2,1-2H3;1H/q+1;/p-1