2,6-dimethylheptan-4-yl-[(3-fluorophenyl)methyl]azanium

Systemtic Name: 2,6-dimethylheptan-4-yl-[(3-fluorophenyl)methyl]azanium Openeye Name: (3-fluorophenyl)methyl-(1-isobutyl-3-methyl-butyl)ammonium CAS Name: 2,6-dimethylheptan-4-yl-[(3-fluorophenyl)methyl]ammonium IUPAC Name: 2,6-dimethylheptan-4-yl-[(3-fluorophenyl)methyl]azanium Traditional Name: (3-fluorobenzyl)-(1-isobutyl-3-methyl-butyl)ammonium Formula: C16H27FN+ MolecularWeight: 252.390683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)[NH2+]CC1=CC(=CC=C1)F

Isomeric SMILES

CC(C)CC(CC(C)C)[NH2+]CC1=CC(=CC=C1)F

InChI

InChI=1S/C16H26FN/c1-12(2)8-16(9-13(3)4)18-11-14-6-5-7-15(17)10-14/h5-7,10,12-13,16,18H,8-9,11H2,1-4H3/p+1