2-[4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C18H28BrN4O2+ MolecularWeight: 412.34452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C18H27BrN4O2/c1-3-6-20-17(24)12-22-7-9-23(10-8-22)13-18(25)21-15-4-5-16(19)14(2)11-15/h4-5,11H,3,6-10,12-13H2,1-2H3,(H,20,24)(H,21,25)/p+1