2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-propan-2-yloxypropyl)ethanamide

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-propan-2-yloxypropyl)ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3-isopropoxypropyl)acetamide CAS Name: 2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-propan-2-yloxypropyl)acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3-propan-2-yloxypropyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3-isopropoxypropyl)acetamide Formula: C19H32N3O4S+ MolecularWeight: 398.54008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)OCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H31N3O4S/c1-17(2)26-14-6-9-20-19(23)15-21-10-12-22(13-11-21)27(24,25)16-18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3,(H,20,23)/p+1