2-[4-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C21H27N3O5/c1-3-6-22-19(25)13-23-7-9-24(10-8-23)20(26)14-28-16-4-5-17-15(2)11-21(27)29-18(17)12-16/h4-5,11-12H,3,6-10,13-14H2,1-2H3,(H,22,25)/p+1