2-[2,4-bis(bromanyl)phenyl]-5-methyl-4-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]pyrazol-3-one

Systemtic Name: 2-[2,4-bis(bromanyl)phenyl]-5-methyl-4-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]pyrazol-3-one Openeye Name: 2-(2,4-dibromophenyl)-5-methyl-4-[(3-morpholin-4-ium-4-ylpropylamino)methylene]pyrazol-3-one CAS Name: 2-(2,4-dibromophenyl)-5-methyl-4-[[3-(4-morpholin-4-iumyl)propylamino]methylidene]-3-pyrazolone IUPAC Name: 2-(2,4-dibromophenyl)-5-methyl-4-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]pyrazol-3-one Traditional Name: 2-(2,4-dibromophenyl)-5-methyl-4-[(3-morpholin-4-ium-4-ylpropylamino)methylene]-2-pyrazolin-3-one Formula: C18H23Br2N4O2+ MolecularWeight: 487.20882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCCC[NH+]2CCOCC2)C3=C(C=C(C=C3)Br)Br

Isomeric SMILES

CC1=NN(C(=O)C1=CNCCC[NH+]2CCOCC2)C3=C(C=C(C=C3)Br)Br

InChI

InChI=1S/C18H22Br2N4O2/c1-13-15(12-21-5-2-6-23-7-9-26-10-8-23)18(25)24(22-13)17-4-3-14(19)11-16(17)20/h3-4,11-12,21H,2,5-10H2,1H3/p+1