[2,6-bis(fluoranyl)phenyl]methyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: [2,6-bis(fluoranyl)phenyl]methyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2,6-difluorophenyl)methyl]-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: (2,6-difluorophenyl)methyl-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2,6-difluorophenyl)methyl]-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: benzyl-(2,6-difluorobenzyl)-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C27H27F2N2+ MolecularWeight: 417.513486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2C[NH+](CC3=CC=CC=C3)CC4=C(C=CC=C4F)F

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2C[NH+](CC3=CC=CC=C3)CC4=C(C=CC=C4F)F

InChI

InChI=1S/C27H26F2N2/c1-21-8-5-11-23(16-21)18-31-15-7-12-24(31)19-30(17-22-9-3-2-4-10-22)20-25-26(28)13-6-14-27(25)29/h2-16H,17-20H2,1H3/p+1