N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

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