[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)-[(2R)-2-oxidanyl-3-phenylmethoxy-propyl]azanium

Systemtic Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)-[(2R)-2-oxidanyl-3-phenylmethoxy-propyl]azanium Openeye Name: [(2R)-3-benzyloxy-2-hydroxy-propyl]-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-isobutyl-ammonium CAS Name: [1-[(2-fluorophenyl)methyl]-2-pyrrolyl]methyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-(2-methylpropyl)ammonium IUPAC Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-(2-methylpropyl)azanium Traditional Name: [(2R)-3-benzoxy-2-hydroxy-propyl]-[[1-(2-fluorobenzyl)pyrrol-2-yl]methyl]-isobutyl-ammonium Formula: C26H34FN2O2+ MolecularWeight: 425.558763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=CC=CN1CC2=CC=CC=C2F)CC(COCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)C[NH+](CC1=CC=CN1CC2=CC=CC=C2F)C[C@H](COCC3=CC=CC=C3)O

InChI

InChI=1S/C26H33FN2O2/c1-21(2)15-28(18-25(30)20-31-19-22-9-4-3-5-10-22)17-24-12-8-14-29(24)16-23-11-6-7-13-26(23)27/h3-14,21,25,30H,15-20H2,1-2H3/p+1/t25-/m1/s1