2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-(4-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H22N4O3S/c1-2-7-18-16(21)13-19-8-10-20(11-9-19)24(22,23)15-5-3-14(12-17)4-6-15/h3-6H,2,7-11,13H2,1H3,(H,18,21)/p+1