2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-benzylpiperidin-1-ium-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-benzylpiperidin-1-ium-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-benzylpiperidin-1-ium-1-yl)ethyl]isoindoline-1,3-quinone Formula: C22H25N2O2+ MolecularWeight: 349.4461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24N2O2/c25-21-19-8-4-5-9-20(19)22(26)24(21)15-14-23-12-10-18(11-13-23)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2/p+1