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

Systemtic Name: 3-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC#N

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC#N

InChI

InChI=1S/C16H23N3O2S/c1-2-4-15-5-7-16(8-6-15)22(20,21)19-13-11-18(12-14-19)10-3-9-17/h5-8H,2-4,10-14H2,1H3/p+1