tert-butyl N-[2-[5,6-dimethoxy-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-2-yl]ethanoylamino]carbamate

Systemtic Name: tert-butyl N-[2-[5,6-dimethoxy-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-2-yl]ethanoylamino]carbamate Openeye Name: tert-butyl N-[[2-(2-benzyl-5,6-dimethoxy-isoindolin-2-ium-2-yl)acetyl]amino]carbamate CAS Name: N-[[2-[5,6-dimethoxy-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-2-yl]-1-oxoethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-(2-benzyl-5,6-dimethoxy-1,3-dihydroisoindol-2-ium-2-yl)acetyl]amino]carbamate Traditional Name: N-[[2-(2-benzyl-5,6-dimethoxy-isoindolin-2-ium-2-yl)acetyl]amino]carbamic acid tert-butyl ester Formula: C24H32N3O5+ MolecularWeight: 442.52798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=O)C[N+]1(CC2=CC(=C(C=C2C1)OC)OC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=O)C[N+]1(CC2=CC(=C(C=C2C1)OC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O5/c1-24(2,3)32-23(29)26-25-22(28)16-27(13-17-9-7-6-8-10-17)14-18-11-20(30-4)21(31-5)12-19(18)15-27/h6-12H,13-16H2,1-5H3,(H-,25,26,28,29)/p+1