N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C22H33N6O+ MolecularWeight: 397.53702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC(=CC(=N3)C)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H32N6O/c1-5-27(6-2)20-9-7-19(8-10-20)25-21(29)16-26-11-13-28(14-12-26)22-23-17(3)15-18(4)24-22/h7-10,15H,5-6,11-14,16H2,1-4H3,(H,25,29)/p+1