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

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylbutyl]acetamide Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5S/c1-3-4-15(2)20-19(23)14-21-7-9-22(10-8-21)28(24,25)16-5-6-17-18(13-16)27-12-11-26-17/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H,20,23)/p+1/t15-/m0/s1