(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methyl-piperidin-1-ium

Systemtic Name: (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methyl-piperidin-1-ium Openeye Name: (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methyl-piperidin-1-ium CAS Name: (3R,4S)-4-(4-fluorophenyl)-3-[[(4-methoxyphenyl)thio]methyl]-1-methylpiperidin-1-ium IUPAC Name: (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidin-1-ium Traditional Name: (3R,4S)-4-(4-fluorophenyl)-3-[[(4-methoxyphenyl)thio]methyl]-1-methyl-piperidin-1-ium Formula: C20H25FNOS+ MolecularWeight: 346.482003

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C(C1)CSC2=CC=C(C=C2)OC)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CC[C@@H]([C@H](C1)CSC2=CC=C(C=C2)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FNOS/c1-22-12-11-20(15-3-5-17(21)6-4-15)16(13-22)14-24-19-9-7-18(23-2)8-10-19/h3-10,16,20H,11-14H2,1-2H3/p+1/t16-,20-/m1/s1