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

Systemtic Name: 5-[[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-methyl-amino]methyl]pyrimidin-2-amine Openeye Name: 5-[[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-methyl-amino]methyl]pyrimidin-2-amine CAS Name: 5-[[[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-methylamino]methyl]-2-pyrimidinamine IUPAC Name: 5-[[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-methylamino]methyl]pyrimidin-2-amine Traditional Name: (2-aminopyrimidin-5-yl)methyl-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-methyl-amine Formula: C18H25FN5+ MolecularWeight: 330.423003

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C(N=C1)N)C2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CN(CC1=CN=C(N=C1)N)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C18H24FN5/c1-23(11-14-9-21-18(20)22-10-14)16-6-4-8-24(13-16)12-15-5-2-3-7-17(15)19/h2-3,5,7,9-10,16H,4,6,8,11-13H2,1H3,(H2,20,21,22)/p+1/t16-/m0/s1