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

Systemtic Name: 2-[4-(5-bromanyl-2-oxidanyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(5-bromo-2-hydroxy-benzoyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[4-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(5-bromo-2-hydroxybenzoyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(5-bromo-2-hydroxy-benzoyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidino]ethanone Formula: C19H27BrN3O3+ MolecularWeight: 425.33998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C19H26BrN3O3/c1-14-4-2-3-7-23(14)18(25)13-21-8-10-22(11-9-21)19(26)16-12-15(20)5-6-17(16)24/h5-6,12,14,24H,2-4,7-11,13H2,1H3/p+1/t14-/m0/s1