2-[(4-ethylsulfonylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(4-ethylsulfonylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(4-ethylsulfonylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(4-ethylsulfonyl-1-piperazin-1-iumyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-ethylsulfonylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-esylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C15H20N3O4S+ MolecularWeight: 338.402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H19N3O4S/c1-2-23(21,22)17-9-7-16(8-10-17)11-18-14(19)12-5-3-4-6-13(12)15(18)20/h3-6H,2,7-11H2,1H3/p+1