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

Systemtic Name: 5-(2-fluorophenyl)-2-pyridin-3-yl-4-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Openeye Name: 5-(2-fluorophenyl)-2-(3-pyridyl)-4-[(3S)-1-(3-thienylmethyl)piperidin-1-ium-3-yl]pyrimidine CAS Name: 5-(2-fluorophenyl)-2-(3-pyridinyl)-4-[(3S)-1-(3-thiophenylmethyl)-3-piperidin-1-iumyl]pyrimidine IUPAC Name: 5-(2-fluorophenyl)-2-pyridin-3-yl-4-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Traditional Name: 5-(2-fluorophenyl)-2-(3-pyridyl)-4-[(3S)-1-(3-thenyl)piperidin-1-ium-3-yl]pyrimidine Formula: C25H24FN4S+ MolecularWeight: 431.548263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CSC=C2)C3=NC(=NC=C3C4=CC=CC=C4F)C5=CN=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CSC=C2)C3=NC(=NC=C3C4=CC=CC=C4F)C5=CN=CC=C5

InChI

InChI=1S/C25H23FN4S/c26-23-8-2-1-7-21(23)22-14-28-25(19-5-3-10-27-13-19)29-24(22)20-6-4-11-30(16-20)15-18-9-12-31-17-18/h1-3,5,7-10,12-14,17,20H,4,6,11,15-16H2/p+1/t20-/m0/s1