3-bromanyl-N-[2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-bromo-N-[2-[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-[2-[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzamide IUPAC Name: 3-bromo-N-[2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzamide Traditional Name: 3-bromo-N-[2-keto-2-[4-[2-keto-2-(p-toluidino)ethyl]piperazin-4-ium-1-yl]ethyl]benzamide Formula: C22H26BrN4O3+ MolecularWeight: 474.37084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H25BrN4O3/c1-16-5-7-19(8-6-16)25-20(28)15-26-9-11-27(12-10-26)21(29)14-24-22(30)17-3-2-4-18(23)13-17/h2-8,13H,9-12,14-15H2,1H3,(H,24,30)(H,25,28)/p+1