4-chloranyl-5-(2-pyrrolidin-1-ium-1-ylethylamino)-2-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-5-(2-pyrrolidin-1-ium-1-ylethylamino)-2-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-3-one Openeye Name: 4-chloro-5-(2-pyrrolidin-1-ium-1-ylethylamino)-2-[5-(trifluoromethyl)-2-pyridyl]pyridazin-3-one CAS Name: 4-chloro-5-[2-(1-pyrrolidin-1-iumyl)ethylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]-3-pyridazinone IUPAC Name: 4-chloro-5-(2-pyrrolidin-1-ium-1-ylethylamino)-2-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-3-one Traditional Name: 4-chloro-5-(2-pyrrolidin-1-ium-1-ylethylamino)-2-[5-(trifluoromethyl)-2-pyridyl]pyridazin-3-one Formula: C16H18ClF3N5O+ MolecularWeight: 388.79523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC2=C(C(=O)N(N=C2)C3=NC=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CC[NH+](C1)CCNC2=C(C(=O)N(N=C2)C3=NC=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C16H17ClF3N5O/c17-14-12(21-5-8-24-6-1-2-7-24)10-23-25(15(14)26)13-4-3-11(9-22-13)16(18,19)20/h3-4,9-10,21H,1-2,5-8H2/p+1