4-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-5-(4-fluorophenyl)-2-methyl-pyrimidine

Systemtic Name: 4-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-5-(4-fluorophenyl)-2-methyl-pyrimidine Openeye Name: 5-(4-fluorophenyl)-4-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-2-methyl-pyrimidine CAS Name: 4-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-5-(4-fluorophenyl)-2-methylpyrimidine IUPAC Name: 4-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-5-(4-fluorophenyl)-2-methylpyrimidine Traditional Name: 5-(4-fluorophenyl)-4-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-2-methyl-pyrimidine Formula: C25H27FN3+ MolecularWeight: 388.500383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCC[NH+](C2)C3CC4=CC=CC=C4C3)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NC=C(C(=N1)[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H26FN3/c1-17-27-15-24(18-8-10-22(26)11-9-18)25(28-17)21-7-4-12-29(16-21)23-13-19-5-2-3-6-20(19)14-23/h2-3,5-6,8-11,15,21,23H,4,7,12-14,16H2,1H3/p+1/t21-/m0/s1