N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-5-(2-thienyl)pyrazole-3-carboxamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C20H22N4O2S/c25-20(21-8-9-23-10-12-26-13-11-23)18-15-17(19-7-4-14-27-19)22-24(18)16-5-2-1-3-6-16/h1-7,14-15H,8-13H2,(H,21,25)/p+1