[2-oxidanylidene-1-(1-prop-2-enoxycarbonylpiperidin-4-yl)pyrrolidin-3-yl]-triphenyl-phosphanium bromide

Systemtic Name: [2-oxidanylidene-1-(1-prop-2-enoxycarbonylpiperidin-4-yl)pyrrolidin-3-yl]-triphenyl-phosphanium bromide Openeye Name: [1-(1-allyloxycarbonyl-4-piperidyl)-2-oxo-pyrrolidin-3-yl]-triphenyl-phosphonium bromide CAS Name: [2-oxo-1-[1-[oxo(prop-2-enoxy)methyl]-4-piperidinyl]-3-pyrrolidinyl]-triphenylphosphonium bromide IUPAC Name: [2-oxo-1-(1-prop-2-enoxycarbonylpiperidin-4-yl)pyrrolidin-3-yl]-triphenylphosphanium bromide Traditional Name: [1-(1-allyloxycarbonyl-4-piperidyl)-2-keto-pyrrolidin-3-yl]-triphenyl-phosphonium bromide Formula: C31H34BrN2O3P MolecularWeight: 593.491021

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CCC(CC1)N2CCC(C2=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C=CCOC(=O)N1CCC(CC1)N2CCC(C2=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C31H34N2O3P.BrH/c1-2-24-36-31(35)32-21-18-25(19-22-32)33-23-20-29(30(33)34)37(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;/h2-17,25,29H,1,18-24H2;1H/q+1;/p-1