N-(4-bromanyl-3-methyl-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H23BrN3O2+ MolecularWeight: 405.30882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)Br

InChI

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