6-bromanyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-chromen-2-one

Systemtic Name: 6-bromanyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-chromen-2-one Openeye Name: 6-bromo-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromen-2-one CAS Name: 6-bromo-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromen-2-one Traditional Name: 6-bromo-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)coumarin Formula: C19H17BrN3O3+ MolecularWeight: 415.26058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C19H16BrN3O3/c20-14-4-5-16-13(11-14)12-15(19(25)26-16)18(24)23-9-7-22(8-10-23)17-3-1-2-6-21-17/h1-6,11-12H,7-10H2/p+1