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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-methylpiperazin-4-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-methyl-piperazin-4-ium Formula: C13H20BrN2O+ MolecularWeight: 300.2147

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C13H19BrN2O/c1-15-5-7-16(8-6-15)10-11-3-4-13(17-2)12(14)9-11/h3-4,9H,5-8,10H2,1-2H3/p+1