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

Systemtic Name: 6-bromanyl-8-methoxy-3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one Openeye Name: 6-bromo-8-methoxy-3-[4-(2-methylallyl)piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 6-bromo-8-methoxy-3-[[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-8-methoxy-3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 6-bromo-8-methoxy-3-[4-(2-methylallyl)piperazin-4-ium-1-carbonyl]coumarin Formula: C19H22BrN2O4+ MolecularWeight: 422.29298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O4/c1-12(2)11-21-4-6-22(7-5-21)18(23)15-9-13-8-14(20)10-16(25-3)17(13)26-19(15)24/h8-10H,1,4-7,11H2,2-3H3/p+1