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

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-26-18-6-4-17(5-7-18)10-11-22-12-14-23(15-13-22)29(24,25)19-8-9-20(27-2)21(16-19)28-3/h4-9,16H,10-15H2,1-3H3/p+1