(3R,5R)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-3,5-dimethyl-piperazin-4-ium

Systemtic Name: (3R,5R)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-3,5-dimethyl-piperazin-4-ium Openeye Name: (3R,5R)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-3,5-dimethyl-piperazin-4-ium CAS Name: (3R,5R)-1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpiperazin-4-ium IUPAC Name: (3R,5R)-1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpiperazin-4-ium Traditional Name: (3R,5R)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-3,5-dimethyl-piperazin-4-ium Formula: C14H23N2O3S+ MolecularWeight: 299.40902

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC([NH2+]1)C)S(=O)(=O)C2=C(C=CC(=C2)C)OC

Isomeric SMILES

C[C@@H]1CN(C[C@H]([NH2+]1)C)S(=O)(=O)C2=C(C=CC(=C2)C)OC

InChI

InChI=1S/C14H22N2O3S/c1-10-5-6-13(19-4)14(7-10)20(17,18)16-8-11(2)15-12(3)9-16/h5-7,11-12,15H,8-9H2,1-4H3/p+1/t11-,12-/m1/s1