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

Systemtic Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-oxidanylpentyl]-prop-2-enyl-azanium Openeye Name: allyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-hydroxypentyl]ammonium CAS Name: [1-[(2-fluorophenyl)methyl]-2-pyrrolyl]methyl-[(2R)-2-hydroxypentyl]-prop-2-enylammonium IUPAC Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-hydroxypentyl]-prop-2-enylazanium Traditional Name: allyl-[[1-(2-fluorobenzyl)pyrrol-2-yl]methyl]-[(2R)-2-hydroxypentyl]ammonium Formula: C20H28FN2O+ MolecularWeight: 331.447523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27FN2O/c1-3-8-19(24)16-22(12-4-2)15-18-10-7-13-23(18)14-17-9-5-6-11-20(17)21/h4-7,9-11,13,19,24H,2-3,8,12,14-16H2,1H3/p+1/t19-/m1/s1