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

Systemtic Name: 2-(2,4-dimethylphenyl)-5-(furan-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-5-(2-furyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-5-(2-furanyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-5-(furan-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-5-(2-furyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CO3)C(=O)NCC[NH+]4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CO3)C(=O)NCC[NH+]4CCCC4)C

InChI

InChI=1S/C22H26N4O2/c1-16-7-8-19(17(2)14-16)26-20(15-18(24-26)21-6-5-13-28-21)22(27)23-9-12-25-10-3-4-11-25/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,23,27)/p+1