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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H32FN5/c1-3-28-16-19(18(2)24-28)15-25-10-6-7-20(17-25)26-11-13-27(14-12-26)22-9-5-4-8-21(22)23/h4-5,8-9,16,20H,3,6-7,10-15,17H2,1-2H3/p+1/t20-/m0/s1