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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H23N3O5S2/c23-18(20-15-3-4-16-17(14-15)27-12-11-26-16)5-6-21-7-9-22(10-8-21)29(24,25)19-2-1-13-28-19/h1-4,13-14H,5-12H2,(H,20,23)/p+1