2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(1-methyl-1-piperidin-1-iumyl)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]isoindoline-1,3-quinone Formula: C17H23N2O2+ MolecularWeight: 287.37672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[N+]1(CCCCC1)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H23N2O2/c1-19(11-5-2-6-12-19)13-7-10-18-16(20)14-8-3-4-9-15(14)17(18)21/h3-4,8-9H,2,5-7,10-13H2,1H3/q+1