[1-[azanyl-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-2-oxidanylidene-pyrrolidin-3-yl]-triphenyl-phosphanium bromide

Systemtic Name: [1-[azanyl-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-2-oxidanylidene-pyrrolidin-3-yl]-triphenyl-phosphanium bromide Openeye Name: [1-[amino(tert-butoxycarbonyl)carbamoyl]-2-oxo-pyrrolidin-3-yl]-triphenyl-phosphonium bromide CAS Name: [1-[[amino-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-oxomethyl]-2-oxo-3-pyrrolidinyl]-triphenylphosphonium bromide IUPAC Name: [1-[amino-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide Traditional Name: [1-[amino(tert-butoxycarbonyl)carbamoyl]-2-keto-pyrrolidin-3-yl]-triphenyl-phosphonium bromide Formula: C28H31BrN3O4P MolecularWeight: 584.441201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(=O)N1CCC(C1=O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N.[Br-]

Isomeric SMILES

CC(C)(C)OC(=O)N(C(=O)N1CCC(C1=O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N.[Br-]

InChI

InChI=1S/C28H31N3O4P.BrH/c1-28(2,3)35-27(34)31(29)26(33)30-20-19-24(25(30)32)36(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;/h4-18,24H,19-20,29H2,1-3H3;1H/q+1;/p-1