1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)piperidine-4-carboxamide

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-(4-methyl-1-piperazin-4-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)piperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)isonipecotamide Formula: C17H25ClF3N5O+2 MolecularWeight: 407.86151

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C17H23ClF3N5O/c1-24-6-8-26(9-7-24)23-16(27)12-2-4-25(5-3-12)15-14(18)10-13(11-22-15)17(19,20)21/h10-12H,2-9H2,1H3,(H,23,27)/p+2