4-bromanyl-N'-[2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanoyl]benzohydrazide

Systemtic Name: 4-bromanyl-N'-[2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanoyl]benzohydrazide Openeye Name: 4-bromo-N'-[2-[4-(m-tolylmethyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide CAS Name: 4-bromo-N'-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]benzohydrazide IUPAC Name: 4-bromo-N'-[2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]acetyl]benzohydrazide Traditional Name: 4-bromo-N'-[2-[4-(3-methylbenzyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide Formula: C21H26BrN4O2+ MolecularWeight: 446.36074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC(=O)NNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC(=O)NNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN4O2/c1-16-3-2-4-17(13-16)14-25-9-11-26(12-10-25)15-20(27)23-24-21(28)18-5-7-19(22)8-6-18/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)(H,24,28)/p+1