(2R)-N-tert-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-tert-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-tert-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-tert-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-tert-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-tert-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C19H30N3O5S+ MolecularWeight: 412.5236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H29N3O5S/c1-14(18(23)20-19(2,3)4)21-7-9-22(10-8-21)28(24,25)15-5-6-16-17(13-15)27-12-11-26-16/h5-6,13-14H,7-12H2,1-4H3,(H,20,23)/p+1/t14-/m1/s1