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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

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