2-(2,4-dimethylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C23H29N4OS+ MolecularWeight: 409.56756

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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+]4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)NCC[NH+]4CCCCC4)C

InChI

InChI=1S/C23H28N4OS/c1-17-8-9-20(18(2)15-17)27-21(16-19(25-27)22-7-6-14-29-22)23(28)24-10-13-26-11-4-3-5-12-26/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,24,28)/p+1