1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-methyl-piperazine-1,4-diium Formula: C13H21BrN2O+2 MolecularWeight: 301.22264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CC[NH+](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+2