(3R,5R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethyl-piperidin-1-ium

Systemtic Name: (3R,5R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethyl-piperidin-1-ium Openeye Name: (3R,5R)-1-[1-(4-chlorophenyl)sulfonyl-4-piperidyl]-3,5-dimethyl-piperidin-1-ium CAS Name: (3R,5R)-1-[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-3,5-dimethylpiperidin-1-ium IUPAC Name: (3R,5R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidin-1-ium Traditional Name: (3R,5R)-1-[1-(4-chlorophenyl)sulfonyl-4-piperidyl]-3,5-dimethyl-piperidin-1-ium Formula: C18H28ClN2O2S+ MolecularWeight: 371.94512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H27ClN2O2S/c1-14-11-15(2)13-20(12-14)17-7-9-21(10-8-17)24(22,23)18-5-3-16(19)4-6-18/h3-6,14-15,17H,7-13H2,1-2H3/p+1/t14-,15-/m1/s1