1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-p-anisyl-piperazin-1-ium Formula: C20H26BrN2O2+ MolecularWeight: 406.33664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H25BrN2O2/c1-24-19-6-3-16(4-7-19)14-22-9-11-23(12-10-22)15-17-13-18(21)5-8-20(17)25-2/h3-8,13H,9-12,14-15H2,1-2H3/p+1