6,8-bis(bromanyl)-3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6,8-bis(bromanyl)-3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one Openeye Name: 6,8-dibromo-3-[4-(2-methylallyl)piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 6,8-dibromo-3-[[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 6,8-dibromo-3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 6,8-dibromo-3-[4-(2-methylallyl)piperazin-4-ium-1-carbonyl]coumarin Formula: C18H19Br2N2O3+ MolecularWeight: 471.16306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C[NH+]1CCN(CC1)C(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br

Isomeric SMILES

CC(=C)C[NH+]1CCN(CC1)C(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br

InChI

InChI=1S/C18H18Br2N2O3/c1-11(2)10-21-3-5-22(6-4-21)17(23)14-8-12-7-13(19)9-15(20)16(12)25-18(14)24/h7-9H,1,3-6,10H2,2H3/p+1