1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-m-anisyl-piperazin-4-ium Formula: C20H26BrN2O2+ MolecularWeight: 406.33664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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