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

Systemtic Name: 2-[1-[3-(diethylamino)propyl]-4-(4-methoxyphenyl)-5-phenyl-pyrazol-1-ium-1-yl]ethanamide Openeye Name: 2-[1-[3-(diethylamino)propyl]-4-(4-methoxyphenyl)-5-phenyl-pyrazol-1-ium-1-yl]acetamide CAS Name: 2-[1-[3-(diethylamino)propyl]-4-(4-methoxyphenyl)-5-phenyl-1-pyrazol-1-iumyl]acetamide IUPAC Name: 2-[1-[3-(diethylamino)propyl]-4-(4-methoxyphenyl)-5-phenylpyrazol-1-ium-1-yl]acetamide Traditional Name: 2-[1-[3-(diethylamino)propyl]-4-(4-methoxyphenyl)-5-phenyl-pyrazol-1-ium-1-yl]acetamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O2/c1-4-28(5-2)16-9-17-29(19-24(26)30)25(21-10-7-6-8-11-21)23(18-27-29)20-12-14-22(31-3)15-13-20/h6-8,10-15,18H,4-5,9,16-17,19H2,1-3H3,(H-,26,30)/p+1