2-[4-[2,6-dimethyl-1-(phenylmethyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[2,6-dimethyl-1-(phenylmethyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-(1-benzyl-2,6-dimethyl-piperazin-1-ium-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-[2,6-dimethyl-1-(phenylmethyl)-1-piperazin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1-benzyl-2,6-dimethylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(1-benzyl-2,6-dimethyl-piperazin-1-ium-1-yl)butyl]isoindoline-1,3-quinone Formula: C25H32N3O2+ MolecularWeight: 406.54048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CNCC([N+]1(CCCCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1CNCC([N+]1(CCCCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H32N3O2/c1-19-16-26-17-20(2)28(19,18-21-10-4-3-5-11-21)15-9-8-14-27-24(29)22-12-6-7-13-23(22)25(27)30/h3-7,10-13,19-20,26H,8-9,14-18H2,1-2H3/q+1