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

Systemtic Name: 1-(phenylsulfonyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(benzenesulfonyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-(2,4,5-trimethoxybenzyl)piperazin-4-ium Formula: C20H27N2O5S+ MolecularWeight: 407.50378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C20H26N2O5S/c1-25-18-14-20(27-3)19(26-2)13-16(18)15-21-9-11-22(12-10-21)28(23,24)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3/p+1