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

Systemtic Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-oxidanyl-3-prop-2-ynoxy-propyl]-prop-2-enyl-azanium Openeye Name: allyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-hydroxy-3-prop-2-ynoxy-propyl]ammonium CAS Name: [1-[(2-fluorophenyl)methyl]-2-pyrrolyl]methyl-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-prop-2-enylammonium IUPAC Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-prop-2-enylazanium Traditional Name: allyl-[[1-(2-fluorobenzyl)pyrrol-2-yl]methyl]-[(2R)-2-hydroxy-3-propargyloxy-propyl]ammonium Formula: C21H26FN2O2+ MolecularWeight: 357.441743

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=CN1CC2=CC=CC=C2F)CC(COCC#C)O

Isomeric SMILES

C=CC[NH+](CC1=CC=CN1CC2=CC=CC=C2F)C[C@H](COCC#C)O

InChI

InChI=1S/C21H25FN2O2/c1-3-11-23(16-20(25)17-26-13-4-2)15-19-9-7-12-24(19)14-18-8-5-6-10-21(18)22/h2-3,5-10,12,20,25H,1,11,13-17H2/p+1/t20-/m1/s1