2-(4-fluorophenyl)-5-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-5-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(4-fluorophenyl)-5-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(4-fluorophenyl)-5-(1-methyl-2-pyrrolyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(4-fluorophenyl)-5-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(4-fluorophenyl)-5-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C21H25FN5O+ MolecularWeight: 382.454503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NN(C(=C2)C(=O)NCC[NH+]3CCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C=CC=C1C2=NN(C(=C2)C(=O)NCC[NH+]3CCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN5O/c1-25-11-4-5-19(25)18-15-20(21(28)23-10-14-26-12-2-3-13-26)27(24-18)17-8-6-16(22)7-9-17/h4-9,11,15H,2-3,10,12-14H2,1H3,(H,23,28)/p+1