(2R)-N-(3,5-dimethylphenyl)-2-phenyl-2-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2R)-N-(3,5-dimethylphenyl)-2-phenyl-2-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2R)-N-(3,5-dimethylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: (2R)-N-(3,5-dimethylphenyl)-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-N-(3,5-dimethylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: (2R)-N-(3,5-dimethylphenyl)-2-(4-isonicotinoylpiperazin-1-ium-1-yl)-2-phenyl-acetamide Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O2/c1-19-16-20(2)18-23(17-19)28-25(31)24(21-6-4-3-5-7-21)29-12-14-30(15-13-29)26(32)22-8-10-27-11-9-22/h3-11,16-18,24H,12-15H2,1-2H3,(H,28,31)/p+1/t24-/m1/s1