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

Systemtic Name: 4-bromanyl-2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 4-bromo-2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 4-bromo-2-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 4-bromo-2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 4-bromo-2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C14H22BrN2O3+ MolecularWeight: 346.24008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH+]2CCN(CC2)CCO)O

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH+]2CCN(CC2)CCO)O

InChI

InChI=1S/C14H21BrN2O3/c1-20-13-9-12(15)8-11(14(13)19)10-17-4-2-16(3-5-17)6-7-18/h8-9,18-19H,2-7,10H2,1H3/p+1