[(3S)-1-(2-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-(2-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-(2-chloro-4-fluoro-phenyl)sulfonyl-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-(2-chloro-4-fluoro-phenyl)sulfonyl-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C19H24ClFN3O2S+ MolecularWeight: 412.929163

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)S(=O)(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)S(=O)(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C19H23ClFN3O2S/c1-2-23(13-15-7-9-22-10-8-15)17-4-3-11-24(14-17)27(25,26)19-6-5-16(21)12-18(19)20/h5-10,12,17H,2-4,11,13-14H2,1H3/p+1/t17-/m0/s1