1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone Formula: C22H30N3O5S2+ MolecularWeight: 480.6207

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H29N3O5S2/c1-29-17-7-8-20(30-2)18(15-17)19-5-3-9-25(19)21(26)16-23-10-12-24(13-11-23)32(27,28)22-6-4-14-31-22/h4,6-8,14-15,19H,3,5,9-13,16H2,1-2H3/p+1/t19-/m1/s1