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

Systemtic Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2-methylphenyl)methyl]-prop-2-enyl-azanium Openeye Name: allyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-(o-tolylmethyl)ammonium CAS Name: [1-[(2-fluorophenyl)methyl]-2-pyrrolyl]methyl-[(2-methylphenyl)methyl]-prop-2-enylammonium IUPAC Name: [1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2-methylphenyl)methyl]-prop-2-enylazanium Traditional Name: allyl-[[1-(2-fluorobenzyl)pyrrol-2-yl]methyl]-(2-methylbenzyl)ammonium Formula: C23H26FN2+ MolecularWeight: 349.464343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](CC=C)CC2=CC=CN2CC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=CC=C1C[NH+](CC=C)CC2=CC=CN2CC3=CC=CC=C3F

InChI

InChI=1S/C23H25FN2/c1-3-14-25(16-20-10-5-4-9-19(20)2)18-22-12-8-15-26(22)17-21-11-6-7-13-23(21)24/h3-13,15H,1,14,16-18H2,2H3/p+1