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

Systemtic Name: 2-(2,5-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(2,5-dimethylphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-(2,5-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C23H28N4O2S/c1-17-6-7-18(2)20(15-17)27-21(16-19(25-27)22-5-3-14-30-22)23(28)24-8-4-9-26-10-12-29-13-11-26/h3,5-7,14-16H,4,8-13H2,1-2H3,(H,24,28)/p+1