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

Systemtic Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-oxidanyl-3-phenylmethoxy-propyl]-prop-2-enyl-azanium Openeye Name: allyl-[(2R)-3-benzyloxy-2-hydroxy-propyl]-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]ammonium CAS Name: [1-[(2-fluorophenyl)methyl]-2-pyrrolyl]methyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-prop-2-enylammonium IUPAC Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-prop-2-enylazanium Traditional Name: allyl-[(2R)-3-benzoxy-2-hydroxy-propyl]-[[1-(2-fluorobenzyl)pyrrol-2-yl]methyl]ammonium Formula: C25H30FN2O2+ MolecularWeight: 409.516303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN2O2/c1-2-14-27(18-24(29)20-30-19-21-9-4-3-5-10-21)17-23-12-8-15-28(23)16-22-11-6-7-13-25(22)26/h2-13,15,24,29H,1,14,16-20H2/p+1/t24-/m1/s1