N-(2,5-dimethylphenyl)-2-[4-[(6-ethoxy-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[4-[(6-ethoxy-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[4-[(6-ethoxy-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[4-[(6-ethoxy-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[4-[(6-ethoxy-2-keto-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C26H32N3O4+ MolecularWeight: 450.54998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)NC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)NC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C26H31N3O4/c1-4-32-21-7-8-24-22(15-21)20(14-26(31)33-24)16-28-9-11-29(12-10-28)17-25(30)27-23-13-18(2)5-6-19(23)3/h5-8,13-15H,4,9-12,16-17H2,1-3H3,(H,27,30)/p+1