5-(5-methylfuran-2-yl)-2-(3-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 5-(5-methylfuran-2-yl)-2-(3-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 5-(5-methyl-2-furyl)-2-(3-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 5-(5-methyl-2-furanyl)-2-(3-nitrophenyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 5-(5-methylfuran-2-yl)-2-(3-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 5-(5-methyl-2-furyl)-2-(3-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C(=C2)C(=O)NCC[NH+]3CCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C(=C2)C(=O)NCC[NH+]3CCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-15-7-8-20(30-15)18-14-19(21(27)22-9-12-24-10-2-3-11-24)25(23-18)16-5-4-6-17(13-16)26(28)29/h4-8,13-14H,2-3,9-12H2,1H3,(H,22,27)/p+1