[5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]azanium

Systemtic Name: [5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]azanium Openeye Name: [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]ammonium IUPAC Name: [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]azanium Traditional Name: [5-bromo-2-(2-fluorobenzyl)oxy-benzyl]-[(1S)-1-methylpropyl]ammonium Formula: C18H22BrFNO+ MolecularWeight: 367.275783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2F

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2F

InChI

InChI=1S/C18H21BrFNO/c1-3-13(2)21-11-15-10-16(19)8-9-18(15)22-12-14-6-4-5-7-17(14)20/h4-10,13,21H,3,11-12H2,1-2H3/p+1/t13-/m0/s1