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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-16-4-6-17(7-5-16)25-19(15-18(23-25)20-3-2-14-28-20)21(26)22-8-9-24-10-12-27-13-11-24/h2-7,14-15H,8-13H2,1H3,(H,22,26)/p+1