[1-(2-methyl-3-oxidanylidene-pentan-2-yl)pyrrolidin-1-ium-1-yl]methyl (4-nitrophenyl) carbonate

Systemtic Name: [1-(2-methyl-3-oxidanylidene-pentan-2-yl)pyrrolidin-1-ium-1-yl]methyl (4-nitrophenyl) carbonate Openeye Name: [1-(1,1-dimethyl-2-oxo-butyl)pyrrolidin-1-ium-1-yl]methyl (4-nitrophenyl) carbonate CAS Name: carbonic acid [1-(2-methyl-3-oxopentan-2-yl)-1-pyrrolidin-1-iumyl]methyl (4-nitrophenyl) ester IUPAC Name: [1-(2-methyl-3-oxopentan-2-yl)pyrrolidin-1-ium-1-yl]methyl (4-nitrophenyl) carbonate Traditional Name: carbonic acid [1-(2-keto-1,1-dimethyl-butyl)pyrrolidin-1-ium-1-yl]methyl (4-nitrophenyl) ester Formula: C18H25N2O6+ MolecularWeight: 365.4009

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)(C)[N+]1(CCCC1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C(C)(C)[N+]1(CCCC1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N2O6/c1-4-16(21)18(2,3)20(11-5-6-12-20)13-25-17(22)26-15-9-7-14(8-10-15)19(23)24/h7-10H,4-6,11-13H2,1-3H3/q+1