N-(2-methylpropyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methylpropyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-isobutyl-acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-isobutyl-acetamide Formula: C16H26N3O3S+ MolecularWeight: 340.46094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S/c1-14(2)12-17-16(20)13-18-8-10-19(11-9-18)23(21,22)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,17,20)/p+1