(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl-ethyl-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl-ethyl-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxo-ethyl]ammonium CAS Name: (7-bromo-2-oxo-1-benzopyran-4-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]ammonium IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium Traditional Name: (7-bromo-2-keto-chromen-4-yl)methyl-ethyl-[2-keto-2-(o-anisidino)ethyl]ammonium Formula: C21H22BrN2O4+ MolecularWeight: 446.31438

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=O)OC2=C1C=CC(=C2)Br)CC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC[NH+](CC1=CC(=O)OC2=C1C=CC(=C2)Br)CC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C21H21BrN2O4/c1-3-24(13-20(25)23-17-6-4-5-7-18(17)27-2)12-14-10-21(26)28-19-11-15(22)8-9-16(14)19/h4-11H,3,12-13H2,1-2H3,(H,23,25)/p+1