2-(2-fluorophenyl)-3-methyl-4-methylidene-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyridazin-6-ium-7-one

Systemtic Name: 2-(2-fluorophenyl)-3-methyl-4-methylidene-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyridazin-6-ium-7-one Openeye Name: 2-(2-fluorophenyl)-3-methyl-4-methylene-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyridazin-6-ium-7-one CAS Name: 2-(2-fluorophenyl)-3-methyl-4-methylene-6-[2-(1-pyrrolidinyl)ethyl]-7-pyrazolo[3,4-d]pyridazin-6-iumone IUPAC Name: 2-(2-fluorophenyl)-3-methyl-4-methylidene-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyridazin-6-ium-7-one Traditional Name: 2-(2-fluorophenyl)-3-methyl-4-methylene-6-(2-pyrrolidinoethyl)pyrazolo[3,4-d]pyridazin-6-ium-7-one Formula: C19H21FN5O+ MolecularWeight: 354.401343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C)N=[N+](C(=O)C2=NN1C3=CC=CC=C3F)CCN4CCCC4

Isomeric SMILES

CC1=C2C(=C)N=[N+](C(=O)C2=NN1C3=CC=CC=C3F)CCN4CCCC4

InChI

InChI=1S/C19H21FN5O/c1-13-17-14(2)25(16-8-4-3-7-15(16)20)22-18(17)19(26)24(21-13)12-11-23-9-5-6-10-23/h3-4,7-8H,1,5-6,9-12H2,2H3/q+1