2-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: 2-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 2-(m-tolyl)-N-(2-piperidin-1-ium-1-ylethyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(3-methylphenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-(m-tolyl)-N-(2-piperidin-1-ium-1-ylethyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-17-7-5-8-18(15-17)26-20(16-19(24-26)21-9-6-14-28-21)22(27)23-10-13-25-11-3-2-4-12-25/h5-9,14-16H,2-4,10-13H2,1H3,(H,23,27)/p+1