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

Systemtic Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(2,4-dimethoxybenzyl)piperazin-4-ium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H26N2O4S/c1-25-19-9-8-18(20(14-19)26-2)15-21-10-12-22(13-11-21)27(23,24)16-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3/p+1