(3S)-1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2-chloro-4-fluoro-phenyl)methyl]-N-ethyl-N-(4-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-chloro-4-fluorophenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-chloro-4-fluorophenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2-chloro-4-fluoro-benzyl)piperidin-1-ium-3-yl]-ethyl-(4-pyridylmethyl)amine Formula: C20H26ClFN3+ MolecularWeight: 362.891943

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C2CCC[NH+](C2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCN(CC1=CC=NC=C1)[C@H]2CCC[NH+](C2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H25ClFN3/c1-2-25(13-16-7-9-23-10-8-16)19-4-3-11-24(15-19)14-17-5-6-18(22)12-20(17)21/h5-10,12,19H,2-4,11,13-15H2,1H3/p+1/t19-/m0/s1