2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]-N-(3-propan-2-yloxypropyl)ethanamide

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]-N-(3-propan-2-yloxypropyl)ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-isopropoxypropyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(3-propan-2-yloxypropyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-propan-2-yloxypropyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(3-isopropoxypropyl)acetamide Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O4S/c1-16(2)25-14-6-9-19-18(22)15-20-10-12-21(13-11-20)26(23,24)17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,19,22)/p+1