(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propanamide

Systemtic Name: (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propanamide Openeye Name: (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propanamide CAS Name: (2R)-2-[4-(4-cyclohexylphenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-dimethylpropanamide IUPAC Name: (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethylpropanamide Traditional Name: (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propionamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-17(21(25)22(2)3)23-13-15-24(16-14-23)28(26,27)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h9-12,17-18H,4-8,13-16H2,1-3H3/p+1/t17-/m1/s1