3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C15H19N3O2S/c16-8-4-9-17-10-12-18(13-11-17)21(19,20)14-7-15-5-2-1-3-6-15/h1-3,5-7,14H,4,9-13H2/p+1/b14-7+