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

Systemtic Name: 2-(4-fluorophenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Openeye Name: 2-(4-fluorophenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide CAS Name: 2-(4-fluorophenyl)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 2-(4-fluorophenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Traditional Name: 2-(4-fluorophenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Formula: C24H32FN3O+2 MolecularWeight: 397.528783

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)F

InChI

InChI=1S/C24H30FN3O/c1-27-15-12-21(13-16-27)28-14-4-5-20(17-28)26-24(29)23-7-3-2-6-22(23)18-8-10-19(25)11-9-18/h2-3,6-11,20-21H,4-5,12-17H2,1H3,(H,26,29)/p+2/t20-/m0/s1