3-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC#N

InChI

InChI=1S/C15H19N3O3S/c1-13(19)14-3-5-15(6-4-14)22(20,21)18-11-9-17(10-12-18)8-2-7-16/h3-6H,2,8-12H2,1H3/p+1