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

Systemtic Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2-methoxycarbonylphenyl)methyl]-prop-2-enyl-azanium Openeye Name: allyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-[(2-methoxycarbonylphenyl)methyl]ammonium CAS Name: [1-[(2-fluorophenyl)methyl]-2-pyrrolyl]methyl-[(2-methoxycarbonylphenyl)methyl]-prop-2-enylammonium IUPAC Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2-methoxycarbonylphenyl)methyl]-prop-2-enylazanium Traditional Name: allyl-(2-carbomethoxybenzyl)-[[1-(2-fluorobenzyl)pyrrol-2-yl]methyl]ammonium Formula: C24H26FN2O2+ MolecularWeight: 393.473843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C[NH+](CC=C)CC2=CC=CN2CC3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=CC=C1C[NH+](CC=C)CC2=CC=CN2CC3=CC=CC=C3F

InChI

InChI=1S/C24H25FN2O2/c1-3-14-26(16-19-9-4-6-12-22(19)24(28)29-2)18-21-11-8-15-27(21)17-20-10-5-7-13-23(20)25/h3-13,15H,1,14,16-18H2,2H3/p+1