(3-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(2-propan-2-ylpyrimidin-5-yl)methyl]azanium

Systemtic Name: (3-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(2-propan-2-ylpyrimidin-5-yl)methyl]azanium Openeye Name: (3-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(2-isopropylpyrimidin-5-yl)methyl]ammonium CAS Name: (3-fluorophenyl)methyl-[3-(1-imidazolyl)propyl]-[(2-propan-2-yl-5-pyrimidinyl)methyl]ammonium IUPAC Name: (3-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(2-propan-2-ylpyrimidin-5-yl)methyl]azanium Traditional Name: (3-fluorobenzyl)-(3-imidazol-1-ylpropyl)-[(2-isopropylpyrimidin-5-yl)methyl]ammonium Formula: C21H27FN5+ MolecularWeight: 368.470983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=C(C=N1)C[NH+](CCCN2C=CN=C2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)C1=NC=C(C=N1)C[NH+](CCCN2C=CN=C2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H26FN5/c1-17(2)21-24-12-19(13-25-21)15-27(9-4-8-26-10-7-23-16-26)14-18-5-3-6-20(22)11-18/h3,5-7,10-13,16-17H,4,8-9,14-15H2,1-2H3/p+1