N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)C

InChI

InChI=1S/C20H24ClN3O2/c1-14-11-15(2)20(16(21)12-14)22-19(26)13-23-7-9-24(10-8-23)17-5-3-4-6-18(17)25/h3-6,11-12,25H,7-10,13H2,1-2H3,(H,22,26)/p+1