1-(4-fluorophenyl)-4-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(4-fluorophenyl)-4-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(4-fluorophenyl)-4-[(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(4-fluorophenyl)-4-[(3S)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(4-fluorophenyl)-4-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(4-fluorophenyl)-4-[(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Formula: C22H33FN5+ MolecularWeight: 386.529323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H32FN5/c1-18(2)28-16-19(14-24-28)15-25-9-3-4-22(17-25)27-12-10-26(11-13-27)21-7-5-20(23)6-8-21/h5-8,14,16,18,22H,3-4,9-13,15,17H2,1-2H3/p+1/t22-/m0/s1