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

Systemtic Name: (3S)-N-[(2-ethylpyrimidin-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(2-ethylpyrimidin-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-piperidin-1-ium-3-amine CAS Name: (3S)-N-[(2-ethyl-5-pyrimidinyl)methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(2-ethylpyrimidin-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-1-ium-3-amine Traditional Name: (2-ethylpyrimidin-5-yl)methyl-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-methyl-amine Formula: C20H28FN4+ MolecularWeight: 343.461523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=N1)CN(C)C2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CCC1=NC=C(C=N1)CN(C)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C20H27FN4/c1-3-20-22-11-16(12-23-20)13-24(2)18-8-6-10-25(15-18)14-17-7-4-5-9-19(17)21/h4-5,7,9,11-12,18H,3,6,8,10,13-15H2,1-2H3/p+1/t18-/m0/s1