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

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-hexyl-ethanamide Openeye Name: N-hexyl-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-hexylacetamide IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-hexylacetamide Traditional Name: N-hexyl-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-2-3-4-5-11-22-21(25)17-23-12-14-24(15-13-23)28(26,27)20-10-9-18-7-6-8-19(18)16-20/h9-10,16H,2-8,11-15,17H2,1H3,(H,22,25)/p+1