trimethyl-[[3-(3-methylbutyl)-4-(oxidanylcarbamoyl)-2-oxidanylidene-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]methyl]azanium

Systemtic Name: trimethyl-[[3-(3-methylbutyl)-4-(oxidanylcarbamoyl)-2-oxidanylidene-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]methyl]azanium Openeye Name: [3-(4-benzyloxyphenyl)-4-(hydroxycarbamoyl)-3-isopentyl-2-oxo-pyrrolidin-1-yl]methyl-trimethyl-ammonium CAS Name: [4-[(hydroxyamino)-oxomethyl]-3-(3-methylbutyl)-2-oxo-3-(4-phenylmethoxyphenyl)-1-pyrrolidinyl]methyl-trimethylammonium IUPAC Name: [4-(hydroxycarbamoyl)-3-(3-methylbutyl)-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]methyl-trimethylazanium Traditional Name: [3-(4-benzoxyphenyl)-4-(hydroxycarbamoyl)-3-isoamyl-2-keto-pyrrolidino]methyl-trimethyl-ammonium Formula: C27H38N3O4+ MolecularWeight: 468.60832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(C(CN(C1=O)C[N+](C)(C)C)C(=O)NO)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCC1(C(CN(C1=O)C[N+](C)(C)C)C(=O)NO)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H37N3O4/c1-20(2)15-16-27(24(25(31)28-33)17-29(26(27)32)19-30(3,4)5)22-11-13-23(14-12-22)34-18-21-9-7-6-8-10-21/h6-14,20,24H,15-19H2,1-5H3,(H-,28,31,33)/p+1