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

Systemtic Name: 5-(4-fluorophenyl)-4-[(3S)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]-2-methyl-pyrimidine Openeye Name: 5-(4-fluorophenyl)-4-[(3S)-1-(2-furylmethyl)piperidin-1-ium-3-yl]-2-methyl-pyrimidine CAS Name: 5-(4-fluorophenyl)-4-[(3S)-1-(2-furanylmethyl)-3-piperidin-1-iumyl]-2-methylpyrimidine IUPAC Name: 5-(4-fluorophenyl)-4-[(3S)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]-2-methylpyrimidine Traditional Name: 5-(4-fluorophenyl)-4-[(3S)-1-(2-furfuryl)piperidin-1-ium-3-yl]-2-methyl-pyrimidine Formula: C21H23FN3O+ MolecularWeight: 352.425223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCC[NH+](C2)CC3=CC=CO3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC=C(C(=N1)[C@H]2CCC[NH+](C2)CC3=CC=CO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O/c1-15-23-12-20(16-6-8-18(22)9-7-16)21(24-15)17-4-2-10-25(13-17)14-19-5-3-11-26-19/h3,5-9,11-12,17H,2,4,10,13-14H2,1H3/p+1/t17-/m0/s1