N-(2,3-dimethylphenyl)-2-[4-(3-phenylimidazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(3-phenylimidazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[oxo-(3-phenyl-4-imidazolyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN=CN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN=CN3C4=CC=CC=C4)C

InChI

InChI=1S/C24H27N5O2/c1-18-7-6-10-21(19(18)2)26-23(30)16-27-11-13-28(14-12-27)24(31)22-15-25-17-29(22)20-8-4-3-5-9-20/h3-10,15,17H,11-14,16H2,1-2H3,(H,26,30)/p+1