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

Systemtic Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Formula: C20H29FN5+ MolecularWeight: 358.476163

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C20H28FN5/c1-23-14-17(13-22-23)15-24-8-4-5-18(16-24)25-9-11-26(12-10-25)20-7-3-2-6-19(20)21/h2-3,6-7,13-14,18H,4-5,8-12,15-16H2,1H3/p+1/t18-/m0/s1