[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-oxidanyl-3-phenoxy-propyl]-prop-2-enyl-azanium

Systemtic Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-oxidanyl-3-phenoxy-propyl]-prop-2-enyl-azanium Openeye Name: allyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-hydroxy-3-phenoxy-propyl]ammonium CAS Name: [1-[(2-fluorophenyl)methyl]-2-pyrrolyl]methyl-[(2R)-2-hydroxy-3-phenoxypropyl]-prop-2-enylammonium IUPAC Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-hydroxy-3-phenoxypropyl]-prop-2-enylazanium Traditional Name: allyl-[[1-(2-fluorobenzyl)pyrrol-2-yl]methyl]-[(2R)-2-hydroxy-3-phenoxy-propyl]ammonium Formula: C24H28FN2O2+ MolecularWeight: 395.489723

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=CN1CC2=CC=CC=C2F)CC(COC3=CC=CC=C3)O

Isomeric SMILES

C=CC[NH+](CC1=CC=CN1CC2=CC=CC=C2F)C[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C24H27FN2O2/c1-2-14-26(18-22(28)19-29-23-11-4-3-5-12-23)17-21-10-8-15-27(21)16-20-9-6-7-13-24(20)25/h2-13,15,22,28H,1,14,16-19H2/p+1/t22-/m1/s1