[2-(4-butyl-3,3a-dihydroimidazo[1,2-a]benzimidazol-1-yl)-2-oxidanylidene-ethyl]-triphenyl-phosphanium bromide

Systemtic Name: [2-(4-butyl-3,3a-dihydroimidazo[1,2-a]benzimidazol-1-yl)-2-oxidanylidene-ethyl]-triphenyl-phosphanium bromide Openeye Name: [2-(4-butyl-3,3a-dihydroimidazo[1,2-a]benzimidazol-1-yl)-2-oxo-ethyl]-triphenyl-phosphonium bromide CAS Name: [2-(4-butyl-3,3a-dihydroimidazo[1,2-a]benzimidazol-1-yl)-2-oxoethyl]-triphenylphosphonium bromide IUPAC Name: [2-(4-butyl-3,3a-dihydroimidazo[1,2-a]benzimidazol-1-yl)-2-oxoethyl]-triphenylphosphanium bromide Traditional Name: [2-(4-butyl-3,3a-dihydroimidazo[1,2-a]benzimidazol-1-yl)-2-keto-ethyl]-triphenyl-phosphonium bromide Formula: C33H33BrN3OP MolecularWeight: 598.512381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2NC=C(N2C3=CC=CC=C31)C(=O)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

CCCCN1C2NC=C(N2C3=CC=CC=C31)C(=O)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C33H32N3OP.BrH/c1-2-3-23-35-29-21-13-14-22-30(29)36-31(24-34-33(35)36)32(37)25-38(26-15-7-4-8-16-26,27-17-9-5-10-18-27)28-19-11-6-12-20-28;/h4-22,24,33H,2-3,23,25H2,1H3;1H