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

Systemtic Name: (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: (2R)-2-[4-(4-cyclohexylphenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2S/c1-16(15-20)21-11-13-22(14-12-21)25(23,24)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h7-10,16-17H,2-6,11-14H2,1H3/p+1/t16-/m1/s1