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

Systemtic Name: 2-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 2-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-phenyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c25-20(21-10-13-23-11-4-5-12-23)18-15-17(19-9-6-14-26-19)22-24(18)16-7-2-1-3-8-16/h1-3,6-9,14-15H,4-5,10-13H2,(H,21,25)/p+1