2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-prop-2-ynyl-acetamide CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-propargyl-acetamide Formula: C18H24N3O3S+ MolecularWeight: 362.46646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

C#CCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C18H23N3O3S/c1-2-8-19-18(22)14-20-9-11-21(12-10-20)25(23,24)17-7-6-15-4-3-5-16(15)13-17/h1,6-7,13H,3-5,8-12,14H2,(H,19,22)/p+1