1-methylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-methylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-methylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-methylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-methylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-mesyl-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium Formula: C15H25N2O5S+ MolecularWeight: 345.4344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C)OC)OC

InChI

InChI=1S/C15H24N2O5S/c1-20-13-6-5-12(14(21-2)15(13)22-3)11-16-7-9-17(10-8-16)23(4,18)19/h5-6H,7-11H2,1-4H3/p+1