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

Systemtic Name: 6-bromanyl-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one Openeye Name: 6-bromo-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 6-bromo-3-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 6-bromo-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]coumarin Formula: C16H18BrN2O4+ MolecularWeight: 382.22912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C16H17BrN2O4/c17-12-1-2-14-11(9-12)10-13(16(22)23-14)15(21)19-5-3-18(4-6-19)7-8-20/h1-2,9-10,20H,3-8H2/p+1