1-(4-fluorophenyl)-4-[(3S)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(4-fluorophenyl)-4-[(3S)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)-4-[(3S)-1-[(3-methylsulfanylphenyl)methyl]-3-piperidyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)-4-[(3S)-1-[[3-(methylthio)phenyl]methyl]-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)-4-[(3S)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)-4-[(3S)-1-[3-(methylthio)benzyl]-3-piperidyl]piperazin-4-ium Formula: C23H31FN3S+ MolecularWeight: 400.575743

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC=CC(=C1)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H30FN3S/c1-28-23-6-2-4-19(16-23)17-25-11-3-5-22(18-25)27-14-12-26(13-15-27)21-9-7-20(24)8-10-21/h2,4,6-10,16,22H,3,5,11-15,17-18H2,1H3/p+1/t22-/m0/s1