2,6-dimethoxy-4-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 2,6-dimethoxy-4-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2,6-dimethoxy-4-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4-[(4-mesylpiperazin-1-ium-1-yl)methyl]-2,6-dimethoxy-phenol Formula: C14H23N2O5S+ MolecularWeight: 331.40782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H22N2O5S/c1-20-12-8-11(9-13(21-2)14(12)17)10-15-4-6-16(7-5-15)22(3,18)19/h8-9,17H,4-7,10H2,1-3H3/p+1