trimethyl-[[1-[4-methyl-1-(oxidanylamino)-1-oxidanylidene-pentan-2-yl]-2-oxidanylidene-3-(4-phenylmethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]azanium

Systemtic Name: trimethyl-[[1-[4-methyl-1-(oxidanylamino)-1-oxidanylidene-pentan-2-yl]-2-oxidanylidene-3-(4-phenylmethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]azanium Openeye Name: [3-(4-benzyloxyphenyl)-1-[1-(hydroxycarbamoyl)-3-methyl-butyl]-2-oxo-pyrrolidin-1-ium-1-yl]methyl-trimethyl-ammonium CAS Name: [1-[1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-2-oxo-3-(4-phenylmethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl-trimethylammonium IUPAC Name: [1-[1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl-trimethylazanium Traditional Name: [3-(4-benzoxyphenyl)-1-[1-(hydroxycarbamoyl)-3-methyl-butyl]-2-keto-pyrrolidin-1-ium-1-yl]methyl-trimethyl-ammonium Formula: C27H39N3O4+2 MolecularWeight: 469.61626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NO)[N+]1(CCC(C1=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C[N+](C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NO)[N+]1(CCC(C1=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C[N+](C)(C)C

InChI

InChI=1S/C27H38N3O4/c1-20(2)17-25(26(31)28-33)30(19-29(3,4)5)16-15-24(27(30)32)22-11-13-23(14-12-22)34-18-21-9-7-6-8-10-21/h6-14,20,24-25H,15-19H2,1-5H3,(H-,28,31,33)/q+1/p+1