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

Systemtic Name: (2R)-3-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-(4-cyclohexylphenyl)sulfonyl-1-piperazin-1-iumyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-3-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propionitrile Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3CCCCC3)C#N

Isomeric SMILES

C[C@H](C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3CCCCC3)C#N

InChI

InChI=1S/C20H29N3O2S/c1-17(15-21)16-22-11-13-23(14-12-22)26(24,25)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h7-10,17-18H,2-6,11-14,16H2,1H3/p+1/t17-/m0/s1