1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-o-veratryl-piperazin-4-ium Formula: C20H27N2O5S+ MolecularWeight: 407.50378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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