1-[[4-[2-(3-bromanylphenoxy)ethoxy]-3-methoxy-phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[[4-[2-(3-bromanylphenoxy)ethoxy]-3-methoxy-phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[[4-[2-(3-bromophenoxy)ethoxy]-3-methoxy-phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[[4-[2-(3-bromophenoxy)ethoxy]-3-methoxyphenyl]methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[4-[2-(3-bromophenoxy)ethoxy]-3-methoxyphenyl]methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[4-[2-(3-bromophenoxy)ethoxy]-3-methoxy-benzyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C25H30BrN3O3+2 MolecularWeight: 500.428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OCCOC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OCCOC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H28BrN3O3/c1-30-24-17-20(19-28-11-13-29(14-12-28)25-7-2-3-10-27-25)8-9-23(24)32-16-15-31-22-6-4-5-21(26)18-22/h2-10,17-18H,11-16,19H2,1H3/p+2