(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C19H24N3O5S2+ MolecularWeight: 438.54096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H23N3O5S2/c1-14(19(23)20-15-4-5-16-17(13-15)27-11-10-26-16)21-6-8-22(9-7-21)29(24,25)18-3-2-12-28-18/h2-5,12-14H,6-11H2,1H3,(H,20,23)/p+1/t14-/m1/s1