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

Systemtic Name: (3S,4S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-(2-fluoro-4-methoxy-benzyl)-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C21H29FN4O2+2 MolecularWeight: 388.478963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CC(C(C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2C[C@@H]([C@H](C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4)F

InChI

InChI=1S/C21H27FN4O2/c1-28-17-6-5-16(18(22)12-17)13-24-14-19(20(27)15-24)25-8-10-26(11-9-25)21-4-2-3-7-23-21/h2-7,12,19-20,27H,8-11,13-15H2,1H3/p+2/t19-,20-/m0/s1