1-[3-(4-bromanyl-2-methyl-phenoxy)propyl]piperazin-4-ium

Systemtic Name: 1-[3-(4-bromanyl-2-methyl-phenoxy)propyl]piperazin-4-ium Openeye Name: 1-[3-(4-bromo-2-methyl-phenoxy)propyl]piperazin-4-ium CAS Name: 1-[3-(4-bromo-2-methylphenoxy)propyl]piperazin-4-ium IUPAC Name: 1-[3-(4-bromo-2-methylphenoxy)propyl]piperazin-4-ium Traditional Name: 1-[3-(4-bromo-2-methyl-phenoxy)propyl]piperazin-4-ium Formula: C14H22BrN2O+ MolecularWeight: 314.24128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCCN2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCCN2CC[NH2+]CC2

InChI

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