1-[4-(2-bromanyl-4-methyl-phenoxy)butyl]piperazin-4-ium

Systemtic Name: 1-[4-(2-bromanyl-4-methyl-phenoxy)butyl]piperazin-4-ium Openeye Name: 1-[4-(2-bromo-4-methyl-phenoxy)butyl]piperazin-4-ium CAS Name: 1-[4-(2-bromo-4-methylphenoxy)butyl]piperazin-4-ium IUPAC Name: 1-[4-(2-bromo-4-methylphenoxy)butyl]piperazin-4-ium Traditional Name: 1-[4-(2-bromo-4-methyl-phenoxy)butyl]piperazin-4-ium Formula: C15H24BrN2O+ MolecularWeight: 328.26786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCN2CC[NH2+]CC2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCN2CC[NH2+]CC2)Br

InChI

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