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

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-4-(trifluoromethyl)benzamide Formula: C19H28F3N3O+2 MolecularWeight: 371.44033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26F3N3O/c1-24-11-8-17(9-12-24)25-10-2-3-16(13-25)23-18(26)14-4-6-15(7-5-14)19(20,21)22/h4-7,16-17H,2-3,8-13H2,1H3,(H,23,26)/p+2/t16-/m0/s1