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

Systemtic Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-(2,4-dimethoxybenzyl)piperazin-4-ium Formula: C19H25N2O4S+ MolecularWeight: 377.4778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C19H24N2O4S/c1-24-17-9-8-16(19(14-17)25-2)15-20-10-12-21(13-11-20)26(22,23)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3/p+1