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

Systemtic Name: (3S)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-methyl-[[1-(2-pyridyl)pyrrol-2-yl]methyl]amine Formula: C23H28FN4+ MolecularWeight: 379.493623

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CN1C2=CC=CC=N2)C3CCC[NH+](C3)CC4=CC=CC=C4F

Isomeric SMILES

CN(CC1=CC=CN1C2=CC=CC=N2)[C@H]3CCC[NH+](C3)CC4=CC=CC=C4F

InChI

InChI=1S/C23H27FN4/c1-26(17-21-10-7-15-28(21)23-12-4-5-13-25-23)20-9-6-14-27(18-20)16-19-8-2-3-11-22(19)24/h2-5,7-8,10-13,15,20H,6,9,14,16-18H2,1H3/p+1/t20-/m0/s1