4-chloranyl-2-fluoranyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: 4-chloranyl-2-fluoranyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Openeye Name: 4-chloro-2-fluoro-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide CAS Name: 4-chloro-2-fluoro-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 4-chloro-2-fluoro-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Traditional Name: 4-chloro-2-fluoro-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Formula: C18H27ClFN3O+2 MolecularWeight: 355.877883

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C18H25ClFN3O/c1-22-9-6-15(7-10-22)23-8-2-3-14(12-23)21-18(24)16-5-4-13(19)11-17(16)20/h4-5,11,14-15H,2-3,6-10,12H2,1H3,(H,21,24)/p+2/t14-/m0/s1