tert-butyl-[3-[[3-(2-methoxy-2-oxidanylidene-ethyl)-1H-indol-4-yl]oxy]-2-oxidanyl-propyl]-[(4-nitrophenyl)methyl]azanium chloride

Systemtic Name: tert-butyl-[3-[[3-(2-methoxy-2-oxidanylidene-ethyl)-1H-indol-4-yl]oxy]-2-oxidanyl-propyl]-[(4-nitrophenyl)methyl]azanium chloride Openeye Name: tert-butyl-[2-hydroxy-3-[[3-(2-methoxy-2-oxo-ethyl)-1H-indol-4-yl]oxy]propyl]-[(4-nitrophenyl)methyl]ammonium chloride CAS Name: tert-butyl-[2-hydroxy-3-[[3-(2-methoxy-2-oxoethyl)-1H-indol-4-yl]oxy]propyl]-[(4-nitrophenyl)methyl]ammonium chloride IUPAC Name: tert-butyl-[2-hydroxy-3-[[3-(2-methoxy-2-oxoethyl)-1H-indol-4-yl]oxy]propyl]-[(4-nitrophenyl)methyl]azanium chloride Traditional Name: tert-butyl-[2-hydroxy-3-[[3-(2-keto-2-methoxy-ethyl)-1H-indol-4-yl]oxy]propyl]-(4-nitrobenzyl)ammonium chloride Formula: C25H32ClN3O6 MolecularWeight: 505.99108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC(COC2=CC=CC3=C2C(=CN3)CC(=O)OC)O.[Cl-]

Isomeric SMILES

CC(C)(C)[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC(COC2=CC=CC3=C2C(=CN3)CC(=O)OC)O.[Cl-]

InChI

InChI=1S/C25H31N3O6.ClH/c1-25(2,3)27(14-17-8-10-19(11-9-17)28(31)32)15-20(29)16-34-22-7-5-6-21-24(22)18(13-26-21)12-23(30)33-4;/h5-11,13,20,26,29H,12,14-16H2,1-4H3;1H