2-[4-(5-bromanyl-2-oxidanyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(5-bromanyl-2-oxidanyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(5-bromo-2-hydroxy-benzoyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(5-bromo-2-hydroxybenzoyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(5-bromo-2-hydroxy-benzoyl)piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C18H25BrN3O3+ MolecularWeight: 411.3134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H24BrN3O3/c19-14-4-5-16(23)15(12-14)18(25)22-10-8-20(9-11-22)13-17(24)21-6-2-1-3-7-21/h4-5,12,23H,1-3,6-11,13H2/p+1