ethyl 4-[2-[[3-(4-methylphenyl)-4-oxidanylidene-chromen-2-yl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[3-(4-methylphenyl)-4-oxidanylidene-chromen-2-yl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-[[4-oxo-3-(p-tolyl)chromen-2-yl]amino]ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[3-(4-methylphenyl)-4-oxo-1-benzopyran-2-yl]amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[3-(4-methylphenyl)-4-oxochromen-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[[4-keto-3-(p-tolyl)chromen-2-yl]amino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C25H28N3O5+ MolecularWeight: 450.50692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C(=O)C3=CC=CC=C3O2)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C(=O)C3=CC=CC=C3O2)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H27N3O5/c1-3-32-25(31)28-14-12-27(13-15-28)16-21(29)26-24-22(18-10-8-17(2)9-11-18)23(30)19-6-4-5-7-20(19)33-24/h4-11H,3,12-16H2,1-2H3,(H,26,29)/p+1