[1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol

Systemtic Name: [1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[[1-(2-fluorophenyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C29H30FN2O+ MolecularWeight: 441.559703

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CN4C5=CC=CC=C5F

Isomeric SMILES

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CN4C5=CC=CC=C5F

InChI

InChI=1S/C29H29FN2O/c30-27-15-7-8-16-28(27)32-19-9-14-26(32)22-31-20-17-25(18-21-31)29(33,23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-16,19,25,33H,17-18,20-22H2/p+1