N-[5-bromanyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(4-methylphenoxy)butanamide

Systemtic Name: N-[5-bromanyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(4-methylphenoxy)butanamide Openeye Name: N-[5-bromo-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(4-methylphenoxy)butanamide CAS Name: N-[5-bromo-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-(4-methylphenoxy)butanamide IUPAC Name: N-[5-bromo-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(4-methylphenoxy)butanamide Traditional Name: N-[5-bromo-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(4-methylphenoxy)butyramide Formula: C22H29BrN3O2+ MolecularWeight: 447.38856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)NC2=C(C=CC(=C2)Br)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)NC2=C(C=CC(=C2)Br)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H28BrN3O2/c1-17-5-8-19(9-6-17)28-15-3-4-22(27)24-20-16-18(23)7-10-21(20)26-13-11-25(2)12-14-26/h5-10,16H,3-4,11-15H2,1-2H3,(H,24,27)/p+1