(6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (6-methyl-1-oxido-pyridin-1-ium-2-yl)methyl-triphenyl-phosphonium bromide CAS Name: (6-methyl-1-oxido-2-pyridin-1-iumyl)methyl-triphenylphosphonium bromide IUPAC Name: (6-methyl-1-oxidopyridin-1-ium-2-yl)methyl-triphenylphosphanium bromide Traditional Name: (6-methyl-1-oxido-pyridin-1-ium-2-yl)methyl-triphenyl-phosphonium bromide Formula: C25H23BrNOP MolecularWeight: 464.333981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NOP.BrH/c1-21-12-11-13-22(26(21)27)20-28(23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25;/h2-19H,20H2,1H3;1H/q+1;/p-1