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

Systemtic Name: 5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 5-(1-methyl-2-pyrrolyl)-2-(3-nitrophenyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C21H25N6O3+ MolecularWeight: 409.4616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NN(C(=C2)C(=O)NCC[NH+]3CCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1C2=NN(C(=C2)C(=O)NCC[NH+]3CCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3/c1-24-10-5-8-19(24)18-15-20(21(28)22-9-13-25-11-2-3-12-25)26(23-18)16-6-4-7-17(14-16)27(29)30/h4-8,10,14-15H,2-3,9,11-13H2,1H3,(H,22,28)/p+1