(2S)-N-(2,5-dimethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C26H29N3O2/c1-19-8-9-20(2)24(18-19)27-26(31)25(21-6-4-3-5-7-21)29-16-14-28(15-17-29)22-10-12-23(30)13-11-22/h3-13,18,25,30H,14-17H2,1-2H3,(H,27,31)/p+1/t25-/m0/s1