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

Systemtic Name: 2-[1-[2,6-bis(azanyl)hexanoyl]pyrrolidin-2-yl]carbonyl-2-(1,1-dimethoxy-3-methyl-butan-2-yl)isoindol-2-ium-1,3-dione Openeye Name: 2-[1-(2,6-diaminohexanoyl)pyrrolidine-2-carbonyl]-2-[1-(dimethoxymethyl)-2-methyl-propyl]isoindolin-2-ium-1,3-dione CAS Name: 2-[[1-(2,6-diamino-1-oxohexyl)-2-pyrrolidinyl]-oxomethyl]-2-(1,1-dimethoxy-3-methylbutan-2-yl)isoindol-2-ium-1,3-dione IUPAC Name: 2-[1-(2,6-diaminohexanoyl)pyrrolidine-2-carbonyl]-2-(1,1-dimethoxy-3-methylbutan-2-yl)isoindol-2-ium-1,3-dione Traditional Name: 2-[1-(2,6-diaminohexanoyl)prolyl]-2-[1-(dimethoxymethyl)-2-methyl-propyl]isoindolin-2-ium-1,3-quinone Formula: C26H39N4O6+ MolecularWeight: 503.61106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(OC)OC)[N+]1(C(=O)C2=CC=CC=C2C1=O)C(=O)C3CCCN3C(=O)C(CCCCN)N

Isomeric SMILES

CC(C)C(C(OC)OC)[N+]1(C(=O)C2=CC=CC=C2C1=O)C(=O)C3CCCN3C(=O)C(CCCCN)N

InChI

InChI=1S/C26H39N4O6/c1-16(2)21(26(35-3)36-4)30(23(32)17-10-5-6-11-18(17)24(30)33)25(34)20-13-9-15-29(20)22(31)19(28)12-7-8-14-27/h5-6,10-11,16,19-21,26H,7-9,12-15,27-28H2,1-4H3/q+1