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

Systemtic Name: 6-bromanyl-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-8-methoxy-chromen-2-one Openeye Name: 6-bromo-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-8-methoxy-chromen-2-one CAS Name: 6-bromo-3-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-8-methoxychromen-2-one Traditional Name: 6-bromo-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-8-methoxy-coumarin Formula: C17H20BrN2O5+ MolecularWeight: 412.2551

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C17H19BrN2O5/c1-24-14-10-12(18)8-11-9-13(17(23)25-15(11)14)16(22)20-4-2-19(3-5-20)6-7-21/h8-10,21H,2-7H2,1H3/p+1