1-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-16(24)17-5-4-6-20(14-17)29(25,26)23-11-9-22(10-12-23)15-18-13-19(27-2)7-8-21(18)28-3/h4-8,13-14H,9-12,15H2,1-3H3/p+1