1-[2-(4-bromanyl-2-methyl-phenoxy)ethyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[2-(4-bromanyl-2-methyl-phenoxy)ethyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[2-(4-bromo-2-methyl-phenoxy)ethyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[2-(4-bromo-2-methylphenoxy)ethyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[2-(4-bromo-2-methylphenoxy)ethyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[2-(4-bromo-2-methyl-phenoxy)ethyl]-4-methyl-piperazine-1,4-diium Formula: C14H23BrN2O+2 MolecularWeight: 315.24922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C14H21BrN2O/c1-12-11-13(15)3-4-14(12)18-10-9-17-7-5-16(2)6-8-17/h3-4,11H,5-10H2,1-2H3/p+2