2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]isoindoline-1,3-quinone Formula: C16H20N3O3+ MolecularWeight: 302.3483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H19N3O3/c1-17-8-10-18(11-9-17)14(20)6-7-19-15(21)12-4-2-3-5-13(12)16(19)22/h2-5H,6-11H2,1H3/p+1