N-[(1S)-1-(3-chloranyl-4-fluoranyl-phenyl)ethyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine

Systemtic Name: N-[(1S)-1-(3-chloranyl-4-fluoranyl-phenyl)ethyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine Openeye Name: N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine CAS Name: N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-pyrrolidin-1-iumyl)-1-propanamine IUPAC Name: N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-3-pyrrolidin-1-ium-1-ylpropan-1-amine Traditional Name: [(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)amine Formula: C15H23ClFN2+ MolecularWeight: 285.807923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)F)Cl)NCCC[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)F)Cl)NCCC[NH+]2CCCC2

InChI

InChI=1S/C15H22ClFN2/c1-12(13-5-6-15(17)14(16)11-13)18-7-4-10-19-8-2-3-9-19/h5-6,11-12,18H,2-4,7-10H2,1H3/p+1/t12-/m0/s1