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

Systemtic Name: [1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)-prop-2-enyl-azanium Openeye Name: allyl-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: [1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl-(1-hydroxy-2-methylpropan-2-yl)-prop-2-enylammonium IUPAC Name: [1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-prop-2-enylazanium Traditional Name: allyl-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C19H26FN2O+ MolecularWeight: 317.420943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)[NH+](CC=C)CC1=CC=CN1CC2=CC(=CC=C2)F

Isomeric SMILES

CC(C)(CO)[NH+](CC=C)CC1=CC=CN1CC2=CC(=CC=C2)F

InChI

InChI=1S/C19H25FN2O/c1-4-10-22(19(2,3)15-23)14-18-9-6-11-21(18)13-16-7-5-8-17(20)12-16/h4-9,11-12,23H,1,10,13-15H2,2-3H3/p+1