2-[[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 2-[[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 2-[[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-1H-indole CAS Name: 2-[[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]-1H-indole IUPAC Name: 2-[[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 2-[[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-1H-indole Formula: C23H24FN4+ MolecularWeight: 375.461863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3N2)C4=C(C=NN4)C5=CC=C(C=C5)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3N2)C4=C(C=NN4)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H23FN4/c24-19-9-7-16(8-10-19)21-13-25-27-23(21)18-5-3-11-28(14-18)15-20-12-17-4-1-2-6-22(17)26-20/h1-2,4,6-10,12-13,18,26H,3,5,11,14-15H2,(H,25,27)/p+1/t18-/m0/s1