4-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-(2-methylphenyl)-2-pyridin-4-yl-pyrimidine

Systemtic Name: 4-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-(2-methylphenyl)-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-(o-tolyl)-2-(4-pyridyl)pyrimidine CAS Name: 4-[(3S)-1-[(4-fluorophenyl)methyl]-3-piperidin-1-iumyl]-5-(2-methylphenyl)-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-(2-methylphenyl)-2-pyridin-4-ylpyrimidine Traditional Name: 4-[(3S)-1-(4-fluorobenzyl)piperidin-1-ium-3-yl]-5-(o-tolyl)-2-(4-pyridyl)pyrimidine Formula: C28H28FN4+ MolecularWeight: 439.547123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=C(N=C2C3CCC[NH+](C3)CC4=CC=C(C=C4)F)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CN=C(N=C2[C@H]3CCC[NH+](C3)CC4=CC=C(C=C4)F)C5=CC=NC=C5

InChI

InChI=1S/C28H27FN4/c1-20-5-2-3-7-25(20)26-17-31-28(22-12-14-30-15-13-22)32-27(26)23-6-4-16-33(19-23)18-21-8-10-24(29)11-9-21/h2-3,5,7-15,17,23H,4,6,16,18-19H2,1H3/p+1/t23-/m0/s1