[(E)-3-azanyl-1-methoxy-1-oxidanylidene-but-2-en-2-yl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-3-azanyl-1-methoxy-1-oxidanylidene-but-2-en-2-yl]-triphenyl-phosphanium bromide Openeye Name: [(E)-2-amino-1-methoxycarbonyl-prop-1-enyl]-triphenyl-phosphonium bromide CAS Name: [(E)-3-amino-1-methoxy-1-oxobut-2-en-2-yl]-triphenylphosphonium bromide IUPAC Name: [(E)-3-amino-1-methoxy-1-oxobut-2-en-2-yl]-triphenylphosphanium bromide Traditional Name: [(E)-2-amino-1-carbomethoxy-prop-1-enyl]-triphenyl-phosphonium bromide Formula: C23H23BrNO2P MolecularWeight: 456.311981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/C(=O)OC)\[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/N.[Br-]

InChI

InChI=1S/C23H22NO2P.BrH/c1-18(24)22(23(25)26-2)27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,1-2H3,(H-,24,25);1H