propan-2-yl 1-tert-butyl-1-methyl-5-phenylmethoxy-indol-1-ium-2-carboperoxoate

Systemtic Name: propan-2-yl 1-tert-butyl-1-methyl-5-phenylmethoxy-indol-1-ium-2-carboperoxoate Openeye Name: isopropyl 5-benzyloxy-1-tert-butyl-1-methyl-indol-1-ium-2-carboperoxoate CAS Name: 1-tert-butyl-1-methyl-5-phenylmethoxy-2-indol-1-iumcarboperoxoic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-tert-butyl-1-methyl-5-phenylmethoxyindol-1-ium-2-carboperoxoate Traditional Name: 5-benzoxy-1-tert-butyl-1-methyl-indol-1-ium-2-carboperoxoic acid isopropyl ester Formula: C24H30NO4+ MolecularWeight: 396.4993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OOC(=O)C1=CC2=C([N+]1(C)C(C)(C)C)C=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)OOC(=O)C1=CC2=C([N+]1(C)C(C)(C)C)C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H30NO4/c1-17(2)28-29-23(26)22-15-19-14-20(27-16-18-10-8-7-9-11-18)12-13-21(19)25(22,6)24(3,4)5/h7-15,17H,16H2,1-6H3/q+1