(3-fluorophenyl)methyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: (3-fluorophenyl)methyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: (3-fluorophenyl)methyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: (3-fluorophenyl)methyl-[[1-[(2-fluorophenyl)methyl]-2-pyrrolyl]methyl]-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: (3-fluorophenyl)methyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: (3-fluorobenzyl)-[[1-(2-fluorobenzyl)pyrrol-2-yl]methyl]-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C25H31F2N3O+2 MolecularWeight: 427.529946

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC[NH+](CC2=CC(=CC=C2)F)CC3=CC=CN3CC4=CC=CC=C4F

Isomeric SMILES

C1COCC[NH+]1CC[NH+](CC2=CC(=CC=C2)F)CC3=CC=CN3CC4=CC=CC=C4F

InChI

InChI=1S/C25H29F2N3O/c26-23-7-3-5-21(17-23)18-29(12-11-28-13-15-31-16-14-28)20-24-8-4-10-30(24)19-22-6-1-2-9-25(22)27/h1-10,17H,11-16,18-20H2/p+2