1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(3R,5R)-3,5-dimethylpiperidino]-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-ium-1-yl]ethanone Formula: C23H33N4O3S+ MolecularWeight: 445.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C)C

InChI

InChI=1S/C23H32N4O3S/c1-17-12-20-5-4-6-21(23(20)24-13-17)31(29,30)27-9-7-25(8-10-27)16-22(28)26-14-18(2)11-19(3)15-26/h4-6,12-13,18-19H,7-11,14-16H2,1-3H3/p+1/t18-,19-/m1/s1