1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium CAS Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

InChI

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