(2R)-N-(2-ethoxyphenyl)-2-phenyl-2-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2R)-N-(2-ethoxyphenyl)-2-phenyl-2-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2R)-N-(2-ethoxyphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: (2R)-N-(2-ethoxyphenyl)-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-N-(2-ethoxyphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: (2R)-2-(4-isonicotinoylpiperazin-1-ium-1-yl)-N-o-phenetyl-2-phenyl-acetamide Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=NC=C4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C26H28N4O3/c1-2-33-23-11-7-6-10-22(23)28-25(31)24(20-8-4-3-5-9-20)29-16-18-30(19-17-29)26(32)21-12-14-27-15-13-21/h3-15,24H,2,16-19H2,1H3,(H,28,31)/p+1/t24-/m1/s1