1-[3-(2-bromanyl-4-methyl-phenoxy)propyl]piperazine-1,4-diium

Systemtic Name: 1-[3-(2-bromanyl-4-methyl-phenoxy)propyl]piperazine-1,4-diium Openeye Name: 1-[3-(2-bromo-4-methyl-phenoxy)propyl]piperazine-1,4-diium CAS Name: 1-[3-(2-bromo-4-methylphenoxy)propyl]piperazine-1,4-diium IUPAC Name: 1-[3-(2-bromo-4-methylphenoxy)propyl]piperazine-1,4-diium Traditional Name: 1-[3-(2-bromo-4-methyl-phenoxy)propyl]piperazine-1,4-diium Formula: C14H23BrN2O+2 MolecularWeight: 315.24922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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