4-[2-(diethylamino)-2-oxidanylidene-ethyl]-N-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-(diethylamino)-2-oxidanylidene-ethyl]-N-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(diethylamino)-2-oxo-ethyl]-N-(2-methyl-1,3-dioxo-isoindolin-5-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(diethylamino)-2-oxoethyl]-N-(2-methyl-1,3-dioxo-5-isoindolyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(diethylamino)-2-oxoethyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(diethylamino)-2-keto-ethyl]-N-(1,3-diketo-2-methyl-isoindolin-5-yl)piperazin-4-ium-1-carboxamide Formula: C20H28N5O4+ MolecularWeight: 402.46742

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)C

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)C

InChI

InChI=1S/C20H27N5O4/c1-4-24(5-2)17(26)13-23-8-10-25(11-9-23)20(29)21-14-6-7-15-16(12-14)19(28)22(3)18(15)27/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,21,29)/p+1