(2-methoxycarbonyl-4-methyl-imidazol-2-yl)methyl-triphenyl-phosphanium chloride hydrochloride

Systemtic Name: (2-methoxycarbonyl-4-methyl-imidazol-2-yl)methyl-triphenyl-phosphanium chloride hydrochloride Openeye Name: (2-methoxycarbonyl-4-methyl-imidazol-2-yl)methyl-triphenyl-phosphonium chloride hydrochloride CAS Name: (2-methoxycarbonyl-4-methyl-2-imidazolyl)methyl-triphenylphosphonium chloride hydrochloride IUPAC Name: (2-methoxycarbonyl-4-methylimidazol-2-yl)methyl-triphenylphosphanium chloride hydrochloride Traditional Name: (2-carbomethoxy-4-methyl-imidazol-2-yl)methyl-triphenyl-phosphonium chloride hydrochloride Formula: C25H25Cl2N2O2P MolecularWeight: 487.357961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(N=C1)(C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC.Cl.[Cl-]

Isomeric SMILES

CC1=NC(N=C1)(C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC.Cl.[Cl-]

InChI

InChI=1S/C25H24N2O2P.2ClH/c1-20-18-26-25(27-20,24(28)29-2)19-30(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;;/h3-18H,19H2,1-2H3;2*1H/q+1;;/p-1