5-(4-fluorophenyl)-2-methyl-4-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]pyrimidine

Systemtic Name: 5-(4-fluorophenyl)-2-methyl-4-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]pyrimidine Openeye Name: 5-(4-fluorophenyl)-2-methyl-4-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]pyrimidine CAS Name: 5-(4-fluorophenyl)-2-methyl-4-[(3R)-1-[(1-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]pyrimidine IUPAC Name: 5-(4-fluorophenyl)-2-methyl-4-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]pyrimidine Traditional Name: 5-(4-fluorophenyl)-2-methyl-4-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]pyrimidine Formula: C26H27FN5+ MolecularWeight: 428.524483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCC[NH+](C2)CC3=CN(N=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NC=C(C(=N1)[C@@H]2CCC[NH+](C2)CC3=CN(N=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H26FN5/c1-19-28-15-25(21-9-11-23(27)12-10-21)26(30-19)22-6-5-13-31(18-22)16-20-14-29-32(17-20)24-7-3-2-4-8-24/h2-4,7-12,14-15,17,22H,5-6,13,16,18H2,1H3/p+1/t22-/m1/s1