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

Systemtic Name: 4-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-5-(4-fluorophenyl)-2-methyl-pyrimidine Openeye Name: 4-[(3S)-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-3-yl]-5-(4-fluorophenyl)-2-methyl-pyrimidine CAS Name: 4-[(3S)-1-[(5-ethyl-2-furanyl)methyl]-3-piperidin-1-iumyl]-5-(4-fluorophenyl)-2-methylpyrimidine IUPAC Name: 4-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-5-(4-fluorophenyl)-2-methylpyrimidine Traditional Name: 4-[(3S)-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-3-yl]-5-(4-fluorophenyl)-2-methyl-pyrimidine Formula: C23H27FN3O+ MolecularWeight: 380.478383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)C

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)C

InChI

InChI=1S/C23H26FN3O/c1-3-20-10-11-21(28-20)15-27-12-4-5-18(14-27)23-22(13-25-16(2)26-23)17-6-8-19(24)9-7-17/h6-11,13,18H,3-5,12,14-15H2,1-2H3/p+1/t18-/m0/s1