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

Systemtic Name: 2-(4-bromanyl-2-methyl-phenoxy)ethyl-[(2R)-butan-2-yl]azanium Openeye Name: 2-(4-bromo-2-methyl-phenoxy)ethyl-[(1R)-1-methylpropyl]ammonium CAS Name: 2-(4-bromo-2-methylphenoxy)ethyl-[(2R)-butan-2-yl]ammonium IUPAC Name: 2-(4-bromo-2-methylphenoxy)ethyl-[(2R)-butan-2-yl]azanium Traditional Name: 2-(4-bromo-2-methyl-phenoxy)ethyl-[(1R)-1-methylpropyl]ammonium Formula: C13H21BrNO+ MolecularWeight: 287.21594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCOC1=C(C=C(C=C1)Br)C

Isomeric SMILES

CC[C@@H](C)[NH2+]CCOC1=C(C=C(C=C1)Br)C

InChI

InChI=1S/C13H20BrNO/c1-4-11(3)15-7-8-16-13-6-5-12(14)9-10(13)2/h5-6,9,11,15H,4,7-8H2,1-3H3/p+1/t11-/m1/s1