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

Systemtic Name: 4-bromanyl-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 4-bromo-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 4-bromo-2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 4-bromo-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 4-bromo-2-methoxy-6-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]phenol Formula: C20H26BrN2O3+ MolecularWeight: 422.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=CC(=C3O)OC)Br

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=CC(=C3O)OC)Br

InChI

InChI=1S/C20H25BrN2O3/c1-3-26-18-7-5-4-6-17(18)23-10-8-22(9-11-23)14-15-12-16(21)13-19(25-2)20(15)24/h4-7,12-13,24H,3,8-11,14H2,1-2H3/p+1