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

Systemtic Name: 2-[1-[3-(diethylamino)propyl]-5-phenyl-4-pyridin-2-yl-pyrazol-1-ium-1-yl]ethanamide Openeye Name: 2-[1-[3-(diethylamino)propyl]-5-phenyl-4-(2-pyridyl)pyrazol-1-ium-1-yl]acetamide CAS Name: 2-[1-[3-(diethylamino)propyl]-5-phenyl-4-(2-pyridinyl)-1-pyrazol-1-iumyl]acetamide IUPAC Name: 2-[1-[3-(diethylamino)propyl]-5-phenyl-4-pyridin-2-ylpyrazol-1-ium-1-yl]acetamide Traditional Name: 2-[1-[3-(diethylamino)propyl]-5-phenyl-4-(2-pyridyl)pyrazol-1-ium-1-yl]acetamide Formula: C23H30N5O+ MolecularWeight: 392.5172

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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=C3)CC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O/c1-3-27(4-2)15-10-16-28(18-22(24)29)23(19-11-6-5-7-12-19)20(17-26-28)21-13-8-9-14-25-21/h5-9,11-14,17H,3-4,10,15-16,18H2,1-2H3,(H-,24,29)/p+1