(3R,5R)-1-(4-ethoxyphenyl)sulfonyl-3,5-dimethyl-piperazin-4-ium

Systemtic Name: (3R,5R)-1-(4-ethoxyphenyl)sulfonyl-3,5-dimethyl-piperazin-4-ium Openeye Name: (3R,5R)-1-(4-ethoxyphenyl)sulfonyl-3,5-dimethyl-piperazin-4-ium CAS Name: (3R,5R)-1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpiperazin-4-ium IUPAC Name: (3R,5R)-1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpiperazin-4-ium Traditional Name: (3R,5R)-3,5-dimethyl-1-p-phenetylsulfonyl-piperazin-4-ium Formula: C14H23N2O3S+ MolecularWeight: 299.40902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC([NH2+]C(C2)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]([NH2+][C@@H](C2)C)C

InChI

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