5-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[1-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]isophthalamide Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=CC=C2)CC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=CC=C2)CC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

InChI

InChI=1S/C21H22N4O3/c22-20(27)16-10-17(21(23)28)12-18(11-16)24-19(26)13-25-8-6-15(7-9-25)14-4-2-1-3-5-14/h1-6,10-12H,7-9,13H2,(H2,22,27)(H2,23,28)(H,24,26)/p+1