1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-veratryl-piperazin-4-ium Formula: C20H27N2O5S+ MolecularWeight: 407.50378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

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