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

Systemtic Name: (2-carboxy-4-methyl-imidazol-2-yl)methyl-triphenyl-phosphanium chloride dihydrate hydrochloride Openeye Name: (2-carboxy-4-methyl-imidazol-2-yl)methyl-triphenyl-phosphonium chloride dihydrate hydrochloride CAS Name: (2-carboxy-4-methyl-2-imidazolyl)methyl-triphenylphosphonium chloride dihydrate hydrochloride IUPAC Name: (2-carboxy-4-methylimidazol-2-yl)methyl-triphenylphosphanium chloride dihydrate hydrochloride Traditional Name: (2-carboxy-4-methyl-imidazol-2-yl)methyl-triphenyl-phosphonium chloride dihydrate hydrochloride Formula: C24H27Cl2N2O4P MolecularWeight: 509.361941

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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)O.O.O.Cl.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C24H21N2O2P.2ClH.2H2O/c1-19-17-25-24(26-19,23(27)28)18-29(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22;;;;/h2-17H,18H2,1H3;2*1H;2*1H2