(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2R)-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: (2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2R)-1-[(2R,6R)-2,6-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:

CC1CCCC(N1C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)[C@@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C18H29N3O3S2/c1-14-6-4-7-15(2)21(14)18(22)16(3)19-9-11-20(12-10-19)26(23,24)17-8-5-13-25-17/h5,8,13-16H,4,6-7,9-12H2,1-3H3/p+1/t14-,15-,16-/m1/s1