2-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C19H27N4O4S+ MolecularWeight: 407.50708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H26N4O4S/c24-18-16-7-3-4-8-17(16)19(25)23(18)15-20-11-13-22(14-12-20)28(26,27)21-9-5-1-2-6-10-21/h3-4,7-8H,1-2,5-6,9-15H2/p+1