1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-(5-bromo-2-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=C(C=CC(=C2)Br)OC

Isomeric SMILES

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

InChI

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