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

Systemtic Name: 3-(3-fluorophenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Openeye Name: 3-(3-fluorophenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide CAS Name: 3-(3-fluorophenyl)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 3-(3-fluorophenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Traditional Name: 3-(3-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(=C3)C4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C24H30FN3O/c1-27-13-10-23(11-14-27)28-12-4-9-22(17-28)26-24(29)20-7-2-5-18(15-20)19-6-3-8-21(25)16-19/h2-3,5-8,15-16,22-23H,4,9-14,17H2,1H3,(H,26,29)/p+2/t22-/m0/s1