tert-butyl-[(2S)-2-(furan-2-ylcarbonyloxy)-3-(3-methyl-4-nitro-phenoxy)propyl]-(phenylmethyl)azanium

Systemtic Name: tert-butyl-[(2S)-2-(furan-2-ylcarbonyloxy)-3-(3-methyl-4-nitro-phenoxy)propyl]-(phenylmethyl)azanium Openeye Name: benzyl-tert-butyl-[(2S)-2-(furan-2-carbonyloxy)-3-(3-methyl-4-nitro-phenoxy)propyl]ammonium CAS Name: tert-butyl-[(2S)-2-[2-furanyl(oxo)methoxy]-3-(3-methyl-4-nitrophenoxy)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-tert-butyl-[(2S)-2-(furan-2-carbonyloxy)-3-(3-methyl-4-nitrophenoxy)propyl]azanium Traditional Name: benzyl-tert-butyl-[(2S)-2-(2-furoyloxy)-3-(3-methyl-4-nitro-phenoxy)propyl]ammonium Formula: C26H31N2O6+ MolecularWeight: 467.53414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH+](CC2=CC=CC=C2)C(C)(C)C)OC(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH+](CC2=CC=CC=C2)C(C)(C)C)OC(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C26H30N2O6/c1-19-15-21(12-13-23(19)28(30)31)33-18-22(34-25(29)24-11-8-14-32-24)17-27(26(2,3)4)16-20-9-6-5-7-10-20/h5-15,22H,16-18H2,1-4H3/p+1/t22-/m0/s1