2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: 2-(1,3-dioxo-2-isoindolyl)ethyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: ethyl-[2-keto-2-(2-thenylamino)ethyl]-(2-phthalimidoethyl)ammonium Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCN1C(=O)C2=CC=CC=C2C1=O)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CC[NH+](CCN1C(=O)C2=CC=CC=C2C1=O)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H21N3O3S/c1-2-21(13-17(23)20-12-14-6-5-11-26-14)9-10-22-18(24)15-7-3-4-8-16(15)19(22)25/h3-8,11H,2,9-10,12-13H2,1H3,(H,20,23)/p+1