N-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-2-yl]-2-(4-ethylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-2-yl]-2-(4-ethylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(3,4-dimethoxyphenyl)-4-oxo-chromen-2-yl]-2-(4-ethylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-(3,4-dimethoxyphenyl)-4-oxo-1-benzopyran-2-yl]-2-(4-ethyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3-(3,4-dimethoxyphenyl)-4-oxochromen-2-yl]-2-(4-ethylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(3,4-dimethoxyphenyl)-4-keto-chromen-2-yl]-2-(4-ethylpiperazin-1-ium-1-yl)acetamide Formula: C25H30N3O5+ MolecularWeight: 452.5228

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=C(C(=O)C3=CC=CC=C3O2)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=C(C(=O)C3=CC=CC=C3O2)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H29N3O5/c1-4-27-11-13-28(14-12-27)16-22(29)26-25-23(17-9-10-20(31-2)21(15-17)32-3)24(30)18-7-5-6-8-19(18)33-25/h5-10,15H,4,11-14,16H2,1-3H3,(H,26,29)/p+1