(2R)-N-(3-chloranyl-4-methyl-phenyl)-2-phenyl-2-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2R)-N-(3-chloranyl-4-methyl-phenyl)-2-phenyl-2-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2R)-N-(3-chloro-4-methyl-phenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: (2R)-N-(3-chloro-4-methylphenyl)-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: (2R)-N-(3-chloro-4-methyl-phenyl)-2-(4-isonicotinoylpiperazin-1-ium-1-yl)-2-phenyl-acetamide Formula: C25H26ClN4O2+ MolecularWeight: 449.95254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN4O2/c1-18-7-8-21(17-22(18)26)28-24(31)23(19-5-3-2-4-6-19)29-13-15-30(16-14-29)25(32)20-9-11-27-12-10-20/h2-12,17,23H,13-16H2,1H3,(H,28,31)/p+1/t23-/m1/s1