1-(2-fluorophenyl)-4-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Formula: C23H35FN5+ MolecularWeight: 400.555903

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4F)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4F)C

InChI

InChI=1S/C23H34FN5/c1-3-10-29-19(2)20(16-25-29)17-26-11-6-7-21(18-26)27-12-14-28(15-13-27)23-9-5-4-8-22(23)24/h4-5,8-9,16,21H,3,6-7,10-15,17-18H2,1-2H3/p+1/t21-/m0/s1