1-(azepan-1-yl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O5S/c1-27-17-7-8-18(28-2)19(15-17)29(25,26)23-13-11-21(12-14-23)16-20(24)22-9-5-3-4-6-10-22/h7-8,15H,3-6,9-14,16H2,1-2H3/p+1