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

Systemtic Name: 5-(4-fluorophenyl)-4-[(3S)-1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-pyrimidine Openeye Name: 5-(4-fluorophenyl)-4-[(3S)-1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-pyrimidine CAS Name: 5-(4-fluorophenyl)-4-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-piperidin-1-iumyl]-2-methylpyrimidine IUPAC Name: 5-(4-fluorophenyl)-4-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-1-ium-3-yl]-2-methylpyrimidine Traditional Name: 5-(4-fluorophenyl)-4-[(3S)-1-(4-methoxy-3-methyl-benzyl)piperidin-1-ium-3-yl]-2-methyl-pyrimidine Formula: C25H29FN3O+ MolecularWeight: 406.515663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)C)OC

InChI

InChI=1S/C25H28FN3O/c1-17-13-19(6-11-24(17)30-3)15-29-12-4-5-21(16-29)25-23(14-27-18(2)28-25)20-7-9-22(26)10-8-20/h6-11,13-14,21H,4-5,12,15-16H2,1-3H3/p+1/t21-/m0/s1