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

Systemtic Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propionitrile Formula: C15H22N3O3S+ MolecularWeight: 324.41848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC#N

InChI

InChI=1S/C15H21N3O3S/c1-2-21-14-4-6-15(7-5-14)22(19,20)18-12-10-17(11-13-18)9-3-8-16/h4-7H,2-3,9-13H2,1H3/p+1