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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Formula: C21H26BrN4O3+ MolecularWeight: 462.36014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O3/c1-15-12-16(22)6-7-17(15)24-20(28)13-23-21(29)14-25-8-10-26(11-9-25)18-4-2-3-5-19(18)27/h2-7,12,27H,8-11,13-14H2,1H3,(H,23,29)(H,24,28)/p+1