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

Systemtic Name: 2-(3-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(m-tolyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(3-methylphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-(3-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(m-tolyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-17-5-2-6-18(15-17)26-20(16-19(24-26)21-7-3-14-29-21)22(27)23-8-4-9-25-10-12-28-13-11-25/h2-3,5-7,14-16H,4,8-13H2,1H3,(H,23,27)/p+1