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

Systemtic Name: 2-[1-[3-(diethylamino)propyl]-4-phenyl-pyrazol-1-ium-1-yl]ethanamide Openeye Name: 2-[1-[3-(diethylamino)propyl]-4-phenyl-pyrazol-1-ium-1-yl]acetamide CAS Name: 2-[1-[3-(diethylamino)propyl]-4-phenyl-1-pyrazol-1-iumyl]acetamide IUPAC Name: 2-[1-[3-(diethylamino)propyl]-4-phenylpyrazol-1-ium-1-yl]acetamide Traditional Name: 2-[1-[3-(diethylamino)propyl]-4-phenyl-pyrazol-1-ium-1-yl]acetamide Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O/c1-3-21(4-2)11-8-12-22(15-18(19)23)14-17(13-20-22)16-9-6-5-7-10-16/h5-7,9-10,13-14H,3-4,8,11-12,15H2,1-2H3,(H-,19,23)/p+1