6-bromanyl-3-(4-prop-2-enylpiperazin-4-ium-1-yl)carbonyl-chromen-2-one

Systemtic Name: 6-bromanyl-3-(4-prop-2-enylpiperazin-4-ium-1-yl)carbonyl-chromen-2-one Openeye Name: 3-(4-allylpiperazin-4-ium-1-carbonyl)-6-bromo-chromen-2-one CAS Name: 6-bromo-3-[oxo-(4-prop-2-enyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-(4-prop-2-enylpiperazin-4-ium-1-carbonyl)chromen-2-one Traditional Name: 3-(4-allylpiperazin-4-ium-1-carbonyl)-6-bromo-coumarin Formula: C17H18BrN2O3+ MolecularWeight: 378.24042

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

C=CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C17H17BrN2O3/c1-2-5-19-6-8-20(9-7-19)16(21)14-11-12-10-13(18)3-4-15(12)23-17(14)22/h2-4,10-11H,1,5-9H2/p+1