[5-(azepan-1-yl)-2-phenyl-1,3-oxazol-4-yl]-triphenyl-phosphanium iodide

Systemtic Name: [5-(azepan-1-yl)-2-phenyl-1,3-oxazol-4-yl]-triphenyl-phosphanium iodide Openeye Name: [5-(azepan-1-yl)-2-phenyl-oxazol-4-yl]-triphenyl-phosphonium iodide CAS Name: [5-(1-azepanyl)-2-phenyl-4-oxazolyl]-triphenylphosphonium iodide IUPAC Name: [5-(azepan-1-yl)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium iodide Traditional Name: [5-(azepan-1-yl)-2-phenyl-oxazol-4-yl]-triphenyl-phosphonium iodide Formula: C33H32IN2OP MolecularWeight: 630.498211

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[I-]

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[I-]

InChI

InChI=1S/C33H32N2OP.HI/c1-2-16-26-35(25-15-1)33-32(34-31(36-33)27-17-7-3-8-18-27)37(28-19-9-4-10-20-28,29-21-11-5-12-22-29)30-23-13-6-14-24-30;/h3-14,17-24H,1-2,15-16,25-26H2;1H/q+1;/p-1