4-chloranyl-3-fluoranyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide

Systemtic Name: 4-chloranyl-3-fluoranyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Openeye Name: 4-chloro-3-fluoro-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide CAS Name: 4-chloro-3-fluoro-N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]benzamide IUPAC Name: 4-chloro-3-fluoro-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Traditional Name: 4-chloro-3-fluoro-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Formula: C21H25ClFN2O+ MolecularWeight: 375.887403

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C21H24ClFN2O/c1-24(21(26)17-9-10-19(22)20(23)14-17)18-8-5-12-25(15-18)13-11-16-6-3-2-4-7-16/h2-4,6-7,9-10,14,18H,5,8,11-13,15H2,1H3/p+1/t18-/m0/s1