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

Systemtic Name: 5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 5-(1-methyl-2-pyrrolyl)-2-(3-nitrophenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C22H27N6O3+ MolecularWeight: 423.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NN(C(=C2)C(=O)NCC[NH+]3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1C2=NN(C(=C2)C(=O)NCC[NH+]3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O3/c1-25-11-6-9-20(25)19-16-21(22(29)23-10-14-26-12-3-2-4-13-26)27(24-19)17-7-5-8-18(15-17)28(30)31/h5-9,11,15-16H,2-4,10,12-14H2,1H3,(H,23,29)/p+1