1-(2-fluorophenyl)-4-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-fluorophenyl)-4-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(2-fluorophenyl)-4-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-fluorophenyl)-4-[(3S)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-fluorophenyl)-4-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(2-fluorophenyl)-4-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]piperazine Formula: C21H31FN5+ MolecularWeight: 372.502743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H30FN5/c22-20-7-1-2-8-21(20)26-16-14-25(15-17-26)19-6-3-10-24(18-19)11-5-13-27-12-4-9-23-27/h1-2,4,7-9,12,19H,3,5-6,10-11,13-18H2/p+1/t19-/m0/s1