N-(3-propan-2-yloxypropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-propan-2-yloxypropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-isopropoxypropyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-propan-2-yloxypropyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-propan-2-yloxypropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-isopropoxypropyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C16H28N3O4S2+ MolecularWeight: 390.54122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)OCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H27N3O4S2/c1-14(2)23-11-4-6-17-15(20)13-18-7-9-19(10-8-18)25(21,22)16-5-3-12-24-16/h3,5,12,14H,4,6-11,13H2,1-2H3,(H,17,20)/p+1