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

Systemtic Name: [(2S)-3-butanoyloxy-2-oxidanyl-propyl]-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(2S)-3-butanoyloxy-2-hydroxy-propyl]-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]ammonium CAS Name: [1-[(2-fluorophenyl)methyl]-2-pyrrolyl]methyl-[(2S)-2-hydroxy-3-(1-oxobutoxy)propyl]-prop-2-enylammonium IUPAC Name: [(2S)-3-butanoyloxy-2-hydroxypropyl]-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-prop-2-enylazanium Traditional Name: allyl-[(2S)-3-butyryloxy-2-hydroxy-propyl]-[[1-(2-fluorobenzyl)pyrrol-2-yl]methyl]ammonium Formula: C22H30FN2O3+ MolecularWeight: 389.483603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O3/c1-3-8-22(27)28-17-20(26)16-24(12-4-2)15-19-10-7-13-25(19)14-18-9-5-6-11-21(18)23/h4-7,9-11,13,20,26H,2-3,8,12,14-17H2,1H3/p+1/t20-/m0/s1