1-(2,5-dimethoxyphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[[(2R)-2-oxanyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium Formula: C18H29N2O5S+ MolecularWeight: 385.49826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3CCCCO3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)C[C@H]3CCCCO3

InChI

InChI=1S/C18H28N2O5S/c1-23-15-6-7-17(24-2)18(13-15)26(21,22)20-10-8-19(9-11-20)14-16-5-3-4-12-25-16/h6-7,13,16H,3-5,8-12,14H2,1-2H3/p+1/t16-/m1/s1