2-[1-[3-(diethylamino)propyl]-4,5-dipyridin-2-yl-pyrazol-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-[3-(diethylamino)propyl]-4,5-dipyridin-2-yl-pyrazol-1-ium-1-yl]ethanamide Openeye Name: 2-[1-[3-(diethylamino)propyl]-4,5-bis(2-pyridyl)pyrazol-1-ium-1-yl]acetamide CAS Name: 2-[1-[3-(diethylamino)propyl]-4,5-bis(2-pyridinyl)-1-pyrazol-1-iumyl]acetamide IUPAC Name: 2-[1-[3-(diethylamino)propyl]-4,5-dipyridin-2-ylpyrazol-1-ium-1-yl]acetamide Traditional Name: 2-[1-[3-(diethylamino)propyl]-4,5-bis(2-pyridyl)pyrazol-1-ium-1-yl]acetamide Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC[N+]1(C(=C(C=N1)C2=CC=CC=N2)C3=CC=CC=N3)CC(=O)N

Isomeric SMILES

CCN(CC)CCC[N+]1(C(=C(C=N1)C2=CC=CC=N2)C3=CC=CC=N3)CC(=O)N

InChI

InChI=1S/C22H28N6O/c1-3-27(4-2)14-9-15-28(17-21(23)29)22(20-11-6-8-13-25-20)18(16-26-28)19-10-5-7-12-24-19/h5-8,10-13,16H,3-4,9,14-15,17H2,1-2H3,(H-,23,29)/p+1