N-(3-bromanyl-4-methyl-phenyl)-3-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-3-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-3-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: N-(3-bromo-4-methylphenyl)-3-[4-(cyanomethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: N-(3-bromo-4-methylphenyl)-3-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-3-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]propionamide Formula: C16H23BrN4O+2 MolecularWeight: 367.28402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC#N)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC#N)Br

InChI

InChI=1S/C16H21BrN4O/c1-13-2-3-14(12-15(13)17)19-16(22)4-6-20-8-10-21(7-5-18)11-9-20/h2-3,12H,4,6-11H2,1H3,(H,19,22)/p+2