2-[2-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(2-methylallyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(2-methylallyl)piperazin-4-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=C)C[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H21N3O3/c1-13(2)11-19-7-9-20(10-8-19)16(22)12-21-17(23)14-5-3-4-6-15(14)18(21)24/h3-6H,1,7-12H2,2H3/p+1