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

Systemtic Name: (2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-methyl-propanamide Openeye Name: (2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-methyl-propanamide CAS Name: (2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]-N-methylpropanamide IUPAC Name: (2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-methylpropanamide Traditional Name: (2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-methyl-propionamide Formula: C16H24N3O5S+ MolecularWeight: 370.44386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5S/c1-12(16(20)17-2)18-5-7-19(8-6-18)25(21,22)13-3-4-14-15(11-13)24-10-9-23-14/h3-4,11-12H,5-10H2,1-2H3,(H,17,20)/p+1/t12-/m1/s1