[3-(2-methylpyridin-1-ium-1-yl)-2-oxidanylidene-propyl]-triphenyl-phosphanium bromide

Systemtic Name: [3-(2-methylpyridin-1-ium-1-yl)-2-oxidanylidene-propyl]-triphenyl-phosphanium bromide Openeye Name: [3-(2-methylpyridin-1-ium-1-yl)-2-oxo-propyl]-triphenyl-phosphonium bromide CAS Name: [3-(2-methyl-1-pyridin-1-iumyl)-2-oxopropyl]-triphenylphosphonium bromide IUPAC Name: [3-(2-methylpyridin-1-ium-1-yl)-2-oxopropyl]-triphenylphosphanium bromide Traditional Name: [2-keto-3-(2-methylpyridin-1-ium-1-yl)propyl]-triphenyl-phosphonium bromide Formula: C27H26BrNOP+ MolecularWeight: 491.379201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H26NOP.BrH/c1-23-13-11-12-20-28(23)21-24(29)22-30(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27;/h2-20H,21-22H2,1H3;1H/q+2;/p-1