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

Systemtic Name: 6-bromanyl-8-ethoxy-3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one Openeye Name: 6-bromo-8-ethoxy-3-[4-(2-methylallyl)piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 6-bromo-8-ethoxy-3-[[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-8-ethoxy-3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 6-bromo-8-ethoxy-3-[4-(2-methylallyl)piperazin-4-ium-1-carbonyl]coumarin Formula: C20H24BrN2O4+ MolecularWeight: 436.31956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CC[NH+](CC3)CC(=C)C

Isomeric SMILES

CCOC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CC[NH+](CC3)CC(=C)C

InChI

InChI=1S/C20H23BrN2O4/c1-4-26-17-11-15(21)9-14-10-16(20(25)27-18(14)17)19(24)23-7-5-22(6-8-23)12-13(2)3/h9-11H,2,4-8,12H2,1,3H3/p+1