2-[4-(5-bromanyl-2-oxidanyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(5-bromanyl-2-oxidanyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(5-bromo-2-hydroxy-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(5-bromo-2-hydroxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(5-bromo-2-hydroxy-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H23BrN3O3+ MolecularWeight: 433.31892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C20H22BrN3O3/c21-16-6-7-18(25)17(12-16)20(27)24-10-8-23(9-11-24)14-19(26)22-13-15-4-2-1-3-5-15/h1-7,12,25H,8-11,13-14H2,(H,22,26)/p+1