1-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[4-[[4-(trifluoromethyl)-2-pyrimidinyl]amino]butyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]piperidin-1-ium-4-carboxamide Formula: C15H23F3N5O+ MolecularWeight: 346.37123

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CCCCNC2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CCCCNC2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C15H22F3N5O/c16-15(17,18)12-3-7-21-14(22-12)20-6-1-2-8-23-9-4-11(5-10-23)13(19)24/h3,7,11H,1-2,4-6,8-10H2,(H2,19,24)(H,20,21,22)/p+1