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

Systemtic Name: [1-(azaniumylmethyl)-4-ethyl-cyclohexyl]-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: [1-(azaniumylmethyl)-4-ethyl-cyclohexyl]-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: [1-(ammoniomethyl)-4-ethylcyclohexyl]-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: [1-(azaniumylmethyl)-4-ethylcyclohexyl]-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: [1-(ammoniomethyl)-4-ethyl-cyclohexyl]-(3-fluorobenzyl)-methyl-ammonium Formula: C17H29FN2+2 MolecularWeight: 280.423963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)(C[NH3+])[NH+](C)CC2=CC(=CC=C2)F

Isomeric SMILES

CCC1CCC(CC1)(C[NH3+])[NH+](C)CC2=CC(=CC=C2)F

InChI

InChI=1S/C17H27FN2/c1-3-14-7-9-17(13-19,10-8-14)20(2)12-15-5-4-6-16(18)11-15/h4-6,11,14H,3,7-10,12-13,19H2,1-2H3/p+2