2-[4-(4-oxidanylidenechromen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-(4-oxidanylidenechromen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(4-oxochromene-2-carbonyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[oxo-(4-oxo-1-benzopyran-2-yl)methyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(4-oxochromene-2-carbonyl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(4-ketochromene-2-carbonyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C22H22N3O4+ MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C22H21N3O4/c26-18-14-20(29-19-9-5-4-8-17(18)19)22(28)25-12-10-24(11-13-25)15-21(27)23-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,23,27)/p+1