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

Systemtic Name: 1-[4-(4-bromanyl-2-methyl-phenoxy)butyl]piperazine-1,4-diium Openeye Name: 1-[4-(4-bromo-2-methyl-phenoxy)butyl]piperazine-1,4-diium CAS Name: 1-[4-(4-bromo-2-methylphenoxy)butyl]piperazine-1,4-diium IUPAC Name: 1-[4-(4-bromo-2-methylphenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-[4-(4-bromo-2-methyl-phenoxy)butyl]piperazine-1,4-diium Formula: C15H25BrN2O+2 MolecularWeight: 329.2758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCCC[NH+]2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCCC[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C15H23BrN2O/c1-13-12-14(16)4-5-15(13)19-11-3-2-8-18-9-6-17-7-10-18/h4-5,12,17H,2-3,6-11H2,1H3/p+2