(3S,4R)-3-(chloromethyl)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium

Systemtic Name: (3S,4R)-3-(chloromethyl)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium Openeye Name: (3S,4R)-3-(chloromethyl)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium CAS Name: (3S,4R)-3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium IUPAC Name: (3S,4R)-3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium Traditional Name: (3S,4R)-3-(chloromethyl)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium Formula: C13H18ClFN+ MolecularWeight: 242.740123

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C(C1)CCl)C2=CC=C(C=C2)F

Isomeric SMILES

C[NH+]1CC[C@H]([C@@H](C1)CCl)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H17ClFN/c1-16-7-6-13(11(8-14)9-16)10-2-4-12(15)5-3-10/h2-5,11,13H,6-9H2,1H3/p+1/t11-,13+/m1/s1