triphenyl(pyridin-3-ylmethyl)phosphanium chloride hydrate hydrochloride

Systemtic Name: triphenyl(pyridin-3-ylmethyl)phosphanium chloride hydrate hydrochloride Openeye Name: triphenyl(3-pyridylmethyl)phosphonium chloride hydrate hydrochloride CAS Name: triphenyl(3-pyridinylmethyl)phosphonium chloride hydrate hydrochloride IUPAC Name: triphenyl(pyridin-3-ylmethyl)phosphanium chloride hydrate hydrochloride Traditional Name: triphenyl(3-pyridylmethyl)phosphonium chloride hydrate hydrochloride Formula: C24H24Cl2NOP MolecularWeight: 444.333221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CN=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.O.Cl.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CN=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.O.Cl.[Cl-]

InChI

InChI=1S/C24H21NP.2ClH.H2O/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23,24-16-8-3-9-17-24)20-21-11-10-18-25-19-21;;;/h1-19H,20H2;2*1H;1H2/q+1;;;/p-1