N3-(4-pyrrolidin-1-ium-1-ylbutyl)-5-(trifluoromethyl)pyridine-2,3-diamine

Systemtic Name: N3-(4-pyrrolidin-1-ium-1-ylbutyl)-5-(trifluoromethyl)pyridine-2,3-diamine Openeye Name: N3-(4-pyrrolidin-1-ium-1-ylbutyl)-5-(trifluoromethyl)pyridine-2,3-diamine CAS Name: N3-[4-(1-pyrrolidin-1-iumyl)butyl]-5-(trifluoromethyl)pyridine-2,3-diamine IUPAC Name: 3-N-(4-pyrrolidin-1-ium-1-ylbutyl)-5-(trifluoromethyl)pyridine-2,3-diamine Traditional Name: [2-amino-5-(trifluoromethyl)-3-pyridyl]-(4-pyrrolidin-1-ium-1-ylbutyl)amine Formula: C14H22F3N4+ MolecularWeight: 303.34649

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCCNC2=C(N=CC(=C2)C(F)(F)F)N

Isomeric SMILES

C1CC[NH+](C1)CCCCNC2=C(N=CC(=C2)C(F)(F)F)N

InChI

InChI=1S/C14H21F3N4/c15-14(16,17)11-9-12(13(18)20-10-11)19-5-1-2-6-21-7-3-4-8-21/h9-10,19H,1-8H2,(H2,18,20)/p+1