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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S/c1-2-3-9-17-16(20)14-18-10-12-19(13-11-18)23(21,22)15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H,17,20)/p+1