[(E)-3-(4-fluorophenyl)prop-2-enyl]-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium

Systemtic Name: [(E)-3-(4-fluorophenyl)prop-2-enyl]-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium Openeye Name: [(E)-3-(4-fluorophenyl)allyl]-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium CAS Name: [(E)-3-(4-fluorophenyl)prop-2-enyl]-[(2R)-6-hydroxy-6-methylheptan-2-yl]ammonium IUPAC Name: [(E)-3-(4-fluorophenyl)prop-2-enyl]-[(2R)-6-hydroxy-6-methylheptan-2-yl]azanium Traditional Name: [(E)-3-(4-fluorophenyl)allyl]-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium Formula: C17H27FNO+ MolecularWeight: 280.400783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CCCC(C)(C)O)[NH2+]C/C=C/C1=CC=C(C=C1)F

InChI

InChI=1S/C17H26FNO/c1-14(6-4-12-17(2,3)20)19-13-5-7-15-8-10-16(18)11-9-15/h5,7-11,14,19-20H,4,6,12-13H2,1-3H3/p+1/b7-5+/t14-/m1/s1