(2R)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propionitrile Formula: C15H22N3O3S+ MolecularWeight: 324.41848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3S/c1-13(11-16)12-17-7-9-18(10-8-17)22(19,20)15-5-3-14(21-2)4-6-15/h3-6,13H,7-10,12H2,1-2H3/p+1/t13-/m0/s1