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

Systemtic Name: 1-[4-(4-bromanyl-2-methyl-phenoxy)butyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[4-(4-bromo-2-methyl-phenoxy)butyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[4-(4-bromo-2-methyl-phenoxy)butyl]-4-methyl-piperazine-1,4-diium Formula: C16H27BrN2O+2 MolecularWeight: 343.30238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25BrN2O/c1-14-13-15(17)5-6-16(14)20-12-4-3-7-19-10-8-18(2)9-11-19/h5-6,13H,3-4,7-12H2,1-2H3/p+2