4-(azaniumylmethyl)heptan-4-yl-[(3-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: 4-(azaniumylmethyl)heptan-4-yl-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: [1-(azaniumylmethyl)-1-propyl-butyl]-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: 4-(ammoniomethyl)heptan-4-yl-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: 4-(azaniumylmethyl)heptan-4-yl-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: [1-(ammoniomethyl)-1-propyl-butyl]-(3-fluorobenzyl)-methyl-ammonium Formula: C16H29FN2+2 MolecularWeight: 268.413263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C[NH3+])[NH+](C)CC1=CC(=CC=C1)F

Isomeric SMILES

CCCC(CCC)(C[NH3+])[NH+](C)CC1=CC(=CC=C1)F

InChI

InChI=1S/C16H27FN2/c1-4-9-16(13-18,10-5-2)19(3)12-14-7-6-8-15(17)11-14/h6-8,11H,4-5,9-10,12-13,18H2,1-3H3/p+2