(3S)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-[[2-(ethylthio)-5-pyrimidinyl]methyl]-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [2-(ethylthio)pyrimidin-5-yl]methyl-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]amine Formula: C19H26FN4S+ MolecularWeight: 361.499943

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C=N1)CNC2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CCSC1=NC=C(C=N1)CN[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C19H25FN4S/c1-2-25-19-22-11-15(12-23-19)10-21-17-7-5-9-24(14-17)13-16-6-3-4-8-18(16)20/h3-4,6,8,11-12,17,21H,2,5,7,9-10,13-14H2,1H3/p+1/t17-/m0/s1