N-(4-bromanyl-2-methyl-phenyl)-2-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[1-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]acetamide Formula: C22H25BrN3O2+ MolecularWeight: 443.3568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C[NH+]2CCC(=CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C[NH+]2CCC(=CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H24BrN3O2/c1-16-13-19(23)7-8-20(16)25-21(27)14-24-22(28)15-26-11-9-18(10-12-26)17-5-3-2-4-6-17/h2-9,13H,10-12,14-15H2,1H3,(H,24,28)(H,25,27)/p+1