methyl 2-[2-[4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-[(7-methyl-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-[(2-keto-7-methyl-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C25H28N3O5+ MolecularWeight: 450.50692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H27N3O5/c1-17-7-8-19-18(14-24(30)33-22(19)13-17)15-27-9-11-28(12-10-27)16-23(29)26-21-6-4-3-5-20(21)25(31)32-2/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,26,29)/p+1