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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c26-21(22-9-5-10-24-11-13-27-14-12-24)18-16-25(17-6-2-1-3-7-17)23-20(18)19-8-4-15-28-19/h1-4,6-8,15-16H,5,9-14H2,(H,22,26)/p+1