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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C26H29N3O2/c1-19-12-13-20(2)22(18-19)27-26(31)25(21-8-4-3-5-9-21)29-16-14-28(15-17-29)23-10-6-7-11-24(23)30/h3-13,18,25,30H,14-17H2,1-2H3,(H,27,31)/p+1/t25-/m1/s1