[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium

Systemtic Name: [(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium Openeye Name: [(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium CAS Name: [(3S)-1-(4-fluorophenyl)-3-pyrrolidinyl]-[(2R)-6-hydroxy-6-methylheptan-2-yl]ammonium IUPAC Name: [(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-[(2R)-6-hydroxy-6-methylheptan-2-yl]azanium Traditional Name: [(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium Formula: C18H30FN2O+ MolecularWeight: 309.442003

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)[NH2+]C1CCN(C1)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@H](CCCC(C)(C)O)[NH2+][C@H]1CCN(C1)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H29FN2O/c1-14(5-4-11-18(2,3)22)20-16-10-12-21(13-16)17-8-6-15(19)7-9-17/h6-9,14,16,20,22H,4-5,10-13H2,1-3H3/p+1/t14-,16+/m1/s1