2-[4-[(6-ethoxy-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(6-ethoxy-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[4-[(6-ethoxy-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide CAS Name: 2-[4-[(6-ethoxy-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[4-[(6-ethoxy-2-keto-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4/c1-3-31-21-7-8-23-22(15-21)19(14-25(30)32-23)16-27-9-11-28(12-10-27)17-24(29)26-20-6-4-5-18(2)13-20/h4-8,13-15H,3,9-12,16-17H2,1-2H3,(H,26,29)/p+1