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

Systemtic Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2S)-2-oxidanyl-3-phenyl-propyl]-prop-2-enyl-azanium Openeye Name: allyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-hydroxy-3-phenyl-propyl]ammonium CAS Name: [1-[(2-fluorophenyl)methyl]-2-pyrrolyl]methyl-[(2S)-2-hydroxy-3-phenylpropyl]-prop-2-enylammonium IUPAC Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2S)-2-hydroxy-3-phenylpropyl]-prop-2-enylazanium Traditional Name: allyl-[[1-(2-fluorobenzyl)pyrrol-2-yl]methyl]-[(2S)-2-hydroxy-3-phenyl-propyl]ammonium Formula: C24H28FN2O+ MolecularWeight: 379.490323

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=CN1CC2=CC=CC=C2F)CC(CC3=CC=CC=C3)O

Isomeric SMILES

C=CC[NH+](CC1=CC=CN1CC2=CC=CC=C2F)C[C@H](CC3=CC=CC=C3)O

InChI

InChI=1S/C24H27FN2O/c1-2-14-26(19-23(28)16-20-9-4-3-5-10-20)18-22-12-8-15-27(22)17-21-11-6-7-13-24(21)25/h2-13,15,23,28H,1,14,16-19H2/p+1/t23-/m0/s1