1-methylsulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-methylsulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-methylsulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-methylsulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-methylsulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-mesyl-4-(2,4,5-trimethoxybenzyl)piperazin-4-ium Formula: C15H25N2O5S+ MolecularWeight: 345.4344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C)OC)OC

InChI

InChI=1S/C15H24N2O5S/c1-20-13-10-15(22-3)14(21-2)9-12(13)11-16-5-7-17(8-6-16)23(4,18)19/h9-10H,5-8,11H2,1-4H3/p+1