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

Systemtic Name: 5-(4-fluorophenyl)-2-methyl-4-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Openeye Name: 5-(4-fluorophenyl)-2-methyl-4-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]pyrimidine CAS Name: 5-(4-fluorophenyl)-2-methyl-4-[(3S)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]pyrimidine IUPAC Name: 5-(4-fluorophenyl)-2-methyl-4-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Traditional Name: 5-(4-fluorophenyl)-2-methyl-4-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]pyrimidine Formula: C22H24FN4+ MolecularWeight: 363.451163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCC[NH+](C2)CC3=CN=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC=C(C(=N1)[C@H]2CCC[NH+](C2)CC3=CN=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4/c1-16-25-13-21(18-6-8-20(23)9-7-18)22(26-16)19-5-3-11-27(15-19)14-17-4-2-10-24-12-17/h2,4,6-10,12-13,19H,3,5,11,14-15H2,1H3/p+1/t19-/m0/s1