(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2R)-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2R)-1-[(3R,5R)-3,5-dimethylpiperidino]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-1-one Formula: C18H30N3O3S2+ MolecularWeight: 400.5791

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)[C@@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C18H29N3O3S2/c1-14-11-15(2)13-20(12-14)18(22)16(3)19-6-8-21(9-7-19)26(23,24)17-5-4-10-25-17/h4-5,10,14-16H,6-9,11-13H2,1-3H3/p+1/t14-,15-,16-/m1/s1