(3S,4S)-1-[(6-fluoranylquinolin-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-[(6-fluoranylquinolin-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(6-fluoro-2-quinolyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[(6-fluoro-2-quinolinyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(6-fluoroquinolin-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-[(6-fluoro-2-quinolyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C23H28FN5O+2 MolecularWeight: 409.499723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C[NH+](CC2O)CC3=NC4=C(C=C3)C=C(C=C4)F)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1[C@H]2C[NH+](C[C@@H]2O)CC3=NC4=C(C=C3)C=C(C=C4)F)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H26FN5O/c24-18-5-7-20-17(13-18)4-6-19(26-20)14-27-15-21(22(30)16-27)28-9-11-29(12-10-28)23-3-1-2-8-25-23/h1-8,13,21-22,30H,9-12,14-16H2/p+2/t21-,22-/m0/s1