(2R)-3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propionitrile Formula: C16H24N3O4S+ MolecularWeight: 354.44446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S/c1-13(11-17)12-18-6-8-19(9-7-18)24(20,21)16-10-14(22-2)4-5-15(16)23-3/h4-5,10,13H,6-9,12H2,1-3H3/p+1/t13-/m0/s1