6-bromanyl-3-methyl-3-(morpholin-4-ium-4-ylmethyl)-8-nitro-2H-chromen-4-one bromide

Systemtic Name: 6-bromanyl-3-methyl-3-(morpholin-4-ium-4-ylmethyl)-8-nitro-2H-chromen-4-one bromide Openeye Name: 6-bromo-3-methyl-3-(morpholin-4-ium-4-ylmethyl)-8-nitro-chroman-4-one bromide CAS Name: 6-bromo-3-methyl-3-(4-morpholin-4-iumylmethyl)-8-nitro-3,4-dihydro-2H-1-benzopyran-4-one bromide IUPAC Name: 6-bromo-3-methyl-3-(morpholin-4-ium-4-ylmethyl)-8-nitro-2H-chromen-4-one bromide Traditional Name: 6-bromo-3-methyl-3-(morpholin-4-ium-4-ylmethyl)-8-nitro-chroman-4-one bromide Formula: C15H18Br2N2O5 MolecularWeight: 466.12182

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2C1=O)Br)[N+](=O)[O-])C[NH+]3CCOCC3.[Br-]

Isomeric SMILES

CC1(COC2=C(C=C(C=C2C1=O)Br)[N+](=O)[O-])C[NH+]3CCOCC3.[Br-]

InChI

InChI=1S/C15H17BrN2O5.BrH/c1-15(8-17-2-4-22-5-3-17)9-23-13-11(14(15)19)6-10(16)7-12(13)18(20)21;/h6-7H,2-5,8-9H2,1H3;1H