(2R)-N-cyclohexyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-propanamide

Systemtic Name: (2R)-N-cyclohexyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-propanamide Openeye Name: (2R)-N-cyclohexyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-propanamide CAS Name: (2R)-N-cyclohexyl-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-methylpropanamide IUPAC Name: (2R)-N-cyclohexyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylpropanamide Traditional Name: (2R)-N-cyclohexyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-propionamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)N(C)C3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)N(C)C3CCCCC3)C

InChI

InChI=1S/C22H35N3O3S/c1-17-10-11-21(18(2)16-17)29(27,28)25-14-12-24(13-15-25)19(3)22(26)23(4)20-8-6-5-7-9-20/h10-11,16,19-20H,5-9,12-15H2,1-4H3/p+1/t19-/m1/s1