[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-oxidanylhex-5-enyl]-prop-2-enyl-azanium

Systemtic Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-oxidanylhex-5-enyl]-prop-2-enyl-azanium Openeye Name: allyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-hydroxyhex-5-enyl]ammonium CAS Name: [1-[(2-fluorophenyl)methyl]-2-pyrrolyl]methyl-[(2R)-2-hydroxyhex-5-enyl]-prop-2-enylammonium IUPAC Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-hydroxyhex-5-enyl]-prop-2-enylazanium Traditional Name: allyl-[[1-(2-fluorobenzyl)pyrrol-2-yl]methyl]-[(2R)-2-hydroxyhex-5-enyl]ammonium Formula: C21H28FN2O+ MolecularWeight: 343.458223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O/c1-3-5-11-20(25)17-23(13-4-2)16-19-10-8-14-24(19)15-18-9-6-7-12-21(18)22/h3-4,6-10,12,14,20,25H,1-2,5,11,13,15-17H2/p+1/t20-/m1/s1