2-bromanyl-4-[[4-[2-(2-hydroxyethyloxy)ethyl]piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol

Systemtic Name: 2-bromanyl-4-[[4-[2-(2-hydroxyethyloxy)ethyl]piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-bromo-4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-bromo-4-[[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazin-4-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-bromo-4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-4-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-bromo-4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol Formula: C16H26BrN2O4+ MolecularWeight: 390.29264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CN2CC[NH+](CC2)CCOCCO)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CN2CC[NH+](CC2)CCOCCO)Br)O

InChI

InChI=1S/C16H25BrN2O4/c1-22-15-11-13(10-14(17)16(15)21)12-19-4-2-18(3-5-19)6-8-23-9-7-20/h10-11,20-21H,2-9,12H2,1H3/p+1