(3S)-1-[(2-fluorophenyl)methyl]-N-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[[3-(methylthio)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-[3-(methylthio)benzyl]amine Formula: C20H26FN2S+ MolecularWeight: 345.497243

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CNC2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CSC1=CC=CC(=C1)CN[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C20H25FN2S/c1-24-19-9-4-6-16(12-19)13-22-18-8-5-11-23(15-18)14-17-7-2-3-10-20(17)21/h2-4,6-7,9-10,12,18,22H,5,8,11,13-15H2,1H3/p+1/t18-/m0/s1