4-bromanyl-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenolate

Systemtic Name: 4-bromanyl-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenolate Openeye Name: 4-bromo-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenolate CAS Name: 4-bromo-2-[[4-[4-(2-hydroxyethyl)-1-piperazinyl]-1-piperidin-1-iumyl]methyl]phenolate IUPAC Name: 4-bromo-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenolate Traditional Name: 4-bromo-2-[[4-[4-(2-hydroxyethyl)piperazino]piperidin-1-ium-1-yl]methyl]phenolate Formula: C18H28BrN3O2 MolecularWeight: 398.33782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCN(CC2)CCO)CC3=C(C=CC(=C3)Br)[O-]

Isomeric SMILES

C1C[NH+](CCC1N2CCN(CC2)CCO)CC3=C(C=CC(=C3)Br)[O-]

InChI

InChI=1S/C18H28BrN3O2/c19-16-1-2-18(24)15(13-16)14-21-5-3-17(4-6-21)22-9-7-20(8-10-22)11-12-23/h1-2,13,17,23-24H,3-12,14H2