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

Systemtic Name: 2-(3-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 2-(m-tolyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(3-methylphenyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-(3-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-(m-tolyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)NCC[NH+]4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C21H24N4OS/c1-16-6-4-7-17(14-16)25-19(15-18(23-25)20-8-5-13-27-20)21(26)22-9-12-24-10-2-3-11-24/h4-8,13-15H,2-3,9-12H2,1H3,(H,22,26)/p+1