1-[(3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-fluorophenyl)piperazine

Systemtic Name: 1-[(3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-fluorophenyl)piperazine Openeye Name: 1-[(3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-fluorophenyl)piperazine CAS Name: 1-[(3S)-1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-4-(4-fluorophenyl)piperazine IUPAC Name: 1-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-fluorophenyl)piperazine Traditional Name: 1-[(3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-fluorophenyl)piperazine Formula: C22H33FN5+ MolecularWeight: 386.529323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32FN5/c1-3-28-18(2)19(15-24-28)16-25-10-4-5-22(17-25)27-13-11-26(12-14-27)21-8-6-20(23)7-9-21/h6-9,15,22H,3-5,10-14,16-17H2,1-2H3/p+1/t22-/m0/s1