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

Systemtic Name: 1-(4-fluorophenyl)-4-[(3S)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(4-fluorophenyl)-4-[(3S)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(4-fluorophenyl)-4-[(3S)-1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(4-fluorophenyl)-4-[(3S)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(4-fluorophenyl)-4-[(3S)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]piperazine Formula: C25H31FN5+ MolecularWeight: 420.545543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=CN=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2C3=CN=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H30FN5/c26-21-7-9-22(10-8-21)29-14-16-30(17-15-29)24-5-2-12-28(19-24)20-25-6-3-13-31(25)23-4-1-11-27-18-23/h1,3-4,6-11,13,18,24H,2,5,12,14-17,19-20H2/p+1/t24-/m0/s1