2-[2,6-bis(azanyl)hexanoyl]-2-(1,1-dimethoxy-3-methyl-butan-2-yl)isoindol-2-ium-1,3-dione

Systemtic Name: 2-[2,6-bis(azanyl)hexanoyl]-2-(1,1-dimethoxy-3-methyl-butan-2-yl)isoindol-2-ium-1,3-dione Openeye Name: 2-(2,6-diaminohexanoyl)-2-[1-(dimethoxymethyl)-2-methyl-propyl]isoindolin-2-ium-1,3-dione CAS Name: 2-(2,6-diamino-1-oxohexyl)-2-(1,1-dimethoxy-3-methylbutan-2-yl)isoindol-2-ium-1,3-dione IUPAC Name: 2-(2,6-diaminohexanoyl)-2-(1,1-dimethoxy-3-methylbutan-2-yl)isoindol-2-ium-1,3-dione Traditional Name: 2-(2,6-diaminohexanoyl)-2-[1-(dimethoxymethyl)-2-methyl-propyl]isoindolin-2-ium-1,3-quinone Formula: C21H32N3O5+ MolecularWeight: 406.49588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(OC)OC)[N+]1(C(=O)C2=CC=CC=C2C1=O)C(=O)C(CCCCN)N

Isomeric SMILES

CC(C)C(C(OC)OC)[N+]1(C(=O)C2=CC=CC=C2C1=O)C(=O)C(CCCCN)N

InChI

InChI=1S/C21H32N3O5/c1-13(2)17(21(28-3)29-4)24(20(27)16(23)11-7-8-12-22)18(25)14-9-5-6-10-15(14)19(24)26/h5-6,9-10,13,16-17,21H,7-8,11-12,22-23H2,1-4H3/q+1