(2-methyl-5-piperidin-1-yl-1,3-oxazol-4-yl)-triphenyl-phosphanium iodide

Systemtic Name: (2-methyl-5-piperidin-1-yl-1,3-oxazol-4-yl)-triphenyl-phosphanium iodide Openeye Name: [2-methyl-5-(1-piperidyl)oxazol-4-yl]-triphenyl-phosphonium iodide CAS Name: [2-methyl-5-(1-piperidinyl)-4-oxazolyl]-triphenylphosphonium iodide IUPAC Name: (2-methyl-5-piperidin-1-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide Traditional Name: (2-methyl-5-piperidino-oxazol-4-yl)-triphenyl-phosphonium iodide Formula: C27H28IN2OP MolecularWeight: 554.402251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(O1)N2CCCCC2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

CC1=NC(=C(O1)N2CCCCC2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C27H28N2OP.HI/c1-22-28-26(27(30-22)29-20-12-5-13-21-29)31(23-14-6-2-7-15-23,24-16-8-3-9-17-24)25-18-10-4-11-19-25;/h2-4,6-11,14-19H,5,12-13,20-21H2,1H3;1H/q+1;/p-1