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

Systemtic Name: tert-butyl N-[2-(5,6-dimethoxy-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethanoylamino]carbamate Openeye Name: tert-butyl N-[[2-(5,6-dimethoxy-2-methyl-isoindolin-2-ium-2-yl)acetyl]amino]carbamate CAS Name: N-[[2-(5,6-dimethoxy-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)-1-oxoethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-(5,6-dimethoxy-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)acetyl]amino]carbamate Traditional Name: N-[[2-(5,6-dimethoxy-2-methyl-isoindolin-2-ium-2-yl)acetyl]amino]carbamic acid tert-butyl ester Formula: C18H28N3O5+ MolecularWeight: 366.43202

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5/c1-18(2,3)26-17(23)20-19-16(22)11-21(4)9-12-7-14(24-5)15(25-6)8-13(12)10-21/h7-8H,9-11H2,1-6H3,(H-,19,20,22,23)/p+1