3-(4-bromanyl-2-methyl-phenoxy)propyl-[(2R)-butan-2-yl]azanium

Systemtic Name: 3-(4-bromanyl-2-methyl-phenoxy)propyl-[(2R)-butan-2-yl]azanium Openeye Name: 3-(4-bromo-2-methyl-phenoxy)propyl-[(1R)-1-methylpropyl]ammonium CAS Name: 3-(4-bromo-2-methylphenoxy)propyl-[(2R)-butan-2-yl]ammonium IUPAC Name: 3-(4-bromo-2-methylphenoxy)propyl-[(2R)-butan-2-yl]azanium Traditional Name: 3-(4-bromo-2-methyl-phenoxy)propyl-[(1R)-1-methylpropyl]ammonium Formula: C14H23BrNO+ MolecularWeight: 301.24252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCCOC1=C(C=C(C=C1)Br)C

Isomeric SMILES

CC[C@@H](C)[NH2+]CCCOC1=C(C=C(C=C1)Br)C

InChI

InChI=1S/C14H22BrNO/c1-4-12(3)16-8-5-9-17-14-7-6-13(15)10-11(14)2/h6-7,10,12,16H,4-5,8-9H2,1-3H3/p+1/t12-/m1/s1