1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-4-ium

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-4-ium Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-4-ium CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-4-ium IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-4-ium Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-4-ium Formula: C13H19N2O4S+ MolecularWeight: 299.36596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3)OC1

InChI

InChI=1S/C13H18N2O4S/c16-20(17,15-6-4-14-5-7-15)11-2-3-12-13(10-11)19-9-1-8-18-12/h2-3,10,14H,1,4-9H2/p+1