[1-(azaniumylmethyl)-4-methyl-cyclohexyl]-[(3-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: [1-(azaniumylmethyl)-4-methyl-cyclohexyl]-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: [1-(azaniumylmethyl)-4-methyl-cyclohexyl]-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: [1-(ammoniomethyl)-4-methylcyclohexyl]-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: [1-(azaniumylmethyl)-4-methylcyclohexyl]-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: [1-(ammoniomethyl)-4-methyl-cyclohexyl]-(3-fluorobenzyl)-methyl-ammonium Formula: C16H27FN2+2 MolecularWeight: 266.397383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C[NH3+])[NH+](C)CC2=CC(=CC=C2)F

Isomeric SMILES

CC1CCC(CC1)(C[NH3+])[NH+](C)CC2=CC(=CC=C2)F

InChI

InChI=1S/C16H25FN2/c1-13-6-8-16(12-18,9-7-13)19(2)11-14-4-3-5-15(17)10-14/h3-5,10,13H,6-9,11-12,18H2,1-2H3/p+2