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

Systemtic Name: 4-bromanyl-2-[[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C18H30BrN3O2+2 MolecularWeight: 400.3537

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)CCO)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(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/p+2