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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-5-(2-thienyl)pyrazole-3-carboxamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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