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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30FN5/c1-2-27-16-18(14-23-27)15-24-9-5-6-19(17-24)25-10-12-26(13-11-25)21-8-4-3-7-20(21)22/h3-4,7-8,14,16,19H,2,5-6,9-13,15,17H2,1H3/p+1/t19-/m0/s1