2-(3-chlorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: 2-(3-chlorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 2-(3-chlorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(3-chlorophenyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-(3-chlorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-(3-chlorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C2=CC(=NN2C3=CC(=CC=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C2=CC(=NN2C3=CC(=CC=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C20H21ClN4OS/c21-15-5-3-6-16(13-15)25-18(14-17(23-25)19-7-4-12-27-19)20(26)22-8-11-24-9-1-2-10-24/h3-7,12-14H,1-2,8-11H2,(H,22,26)/p+1