2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-ium-1-yl]-N-cyclopropyl-N-ethyl-ethanamide

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-ium-1-yl]-N-cyclopropyl-N-ethyl-ethanamide Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-ium-1-yl]-N-cyclopropyl-N-ethyl-acetamide CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-ium-1-yl]-N-cyclopropyl-N-ethylacetamide IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-ium-1-yl]-N-cyclopropyl-N-ethylacetamide Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-ium-1-yl]-N-cyclopropyl-N-ethyl-acetamide Formula: C18H25ClF3N4O+ MolecularWeight: 405.86551

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CC1)C(=O)C[NH+]2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CCN(C1CC1)C(=O)C[NH+]2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H24ClF3N4O/c1-2-26(14-4-5-14)16(27)12-24-6-3-7-25(9-8-24)17-15(19)10-13(11-23-17)18(20,21)22/h10-11,14H,2-9,12H2,1H3/p+1