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

Systemtic Name: 2-phenyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 2-phenyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-phenyl-N-[3-(1-pyrrolidin-1-iumyl)propyl]-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-phenyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-phenyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c26-21(22-11-7-14-24-12-4-5-13-24)19-16-18(20-10-6-15-27-20)23-25(19)17-8-2-1-3-9-17/h1-3,6,8-10,15-16H,4-5,7,11-14H2,(H,22,26)/p+1