1-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 1-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 1-(4-fluorophenyl)-3-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 1-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-c]pyrazole-5-carboxamide Formula: C19H22FN4O2S+ MolecularWeight: 389.466983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NCC[NH+]3CCOCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NCC[NH+]3CCOCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H21FN4O2S/c1-13-16-12-17(18(25)21-6-7-23-8-10-26-11-9-23)27-19(16)24(22-13)15-4-2-14(20)3-5-15/h2-5,12H,6-11H2,1H3,(H,21,25)/p+1