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

Systemtic Name: N-[(1S)-1-(3-chloranyl-4-fluoranyl-phenyl)ethyl]-3-piperidin-1-ium-1-yl-propan-1-amine Openeye Name: N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-3-piperidin-1-ium-1-yl-propan-1-amine CAS Name: N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-piperidin-1-iumyl)-1-propanamine IUPAC Name: N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-1-ium-1-ylpropan-1-amine Traditional Name: [(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)amine Formula: C16H25ClFN2+ MolecularWeight: 299.834503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)F)Cl)NCCC[NH+]2CCCCC2

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)F)Cl)NCCC[NH+]2CCCCC2

InChI

InChI=1S/C16H24ClFN2/c1-13(14-6-7-16(18)15(17)12-14)19-8-5-11-20-9-3-2-4-10-20/h6-7,12-13,19H,2-5,8-11H2,1H3/p+1/t13-/m0/s1