N-(4-bromanyl-2-methyl-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H23BrN3O2+ MolecularWeight: 405.30882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O2/c1-14-12-15(20)2-7-18(14)21-19(25)13-22-8-10-23(11-9-22)16-3-5-17(24)6-4-16/h2-7,12,24H,8-11,13H2,1H3,(H,21,25)/p+1