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

Systemtic Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCC3

InChI

InChI=1S/C18H27N3O5S/c1-25-15-5-6-16(26-2)17(13-15)27(23,24)21-11-9-20(10-12-21)18(22)14-19-7-3-4-8-19/h5-6,13H,3-4,7-12,14H2,1-2H3/p+1