[(1R)-2-azaniumyl-1-(5-bromanylfuran-2-yl)ethyl]-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [(1R)-2-azaniumyl-1-(5-bromanylfuran-2-yl)ethyl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [(1R)-2-azaniumyl-1-(5-bromo-2-furyl)ethyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [(1R)-2-ammonio-1-(5-bromo-2-furanyl)ethyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(1R)-2-azaniumyl-1-(5-bromofuran-2-yl)ethyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [(1R)-2-ammonio-1-(5-bromo-2-furyl)ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C15H21BrN2O+2 MolecularWeight: 325.24404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)C(C[NH3+])C2=CC=C(O2)Br

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)[C@H](C[NH3+])C2=CC=C(O2)Br

InChI

InChI=1S/C15H19BrN2O/c1-11-3-5-12(6-4-11)10-18(2)13(9-17)14-7-8-15(16)19-14/h3-8,13H,9-10,17H2,1-2H3/p+2/t13-/m1/s1