(3S,4S)-1-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(5-fluoro-2-pyrazol-1-yl-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[[5-fluoro-2-(1-pyrazolyl)phenyl]methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-(5-fluoro-2-pyrazol-1-yl-benzyl)-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C23H29FN6O+2 MolecularWeight: 424.514363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C[NH+](CC2O)CC3=C(C=CC(=C3)F)N4C=CC=N4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1[C@H]2C[NH+](C[C@@H]2O)CC3=C(C=CC(=C3)F)N4C=CC=N4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H27FN6O/c24-19-5-6-20(30-9-3-8-26-30)18(14-19)15-27-16-21(22(31)17-27)28-10-12-29(13-11-28)23-4-1-2-7-25-23/h1-9,14,21-22,31H,10-13,15-17H2/p+2/t21-,22-/m0/s1