N-(1,3-benzodioxol-5-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H24N3O7S+ MolecularWeight: 462.49616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H23N3O7S/c25-21(22-15-1-3-18-19(11-15)31-14-30-18)13-23-5-7-24(8-6-23)32(26,27)16-2-4-17-20(12-16)29-10-9-28-17/h1-4,11-12H,5-10,13-14H2,(H,22,25)/p+1