[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-[(2S)-butan-2-yl]azanium

Systemtic Name: [3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-[(2S)-butan-2-yl]azanium Openeye Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-[(2S)-butan-2-yl]ammonium IUPAC Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-[(2S)-butan-2-yl]azanium Traditional Name: [3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]-[(1S)-1-methylpropyl]ammonium Formula: C19H24BrFNO2+ MolecularWeight: 397.301763

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OC

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OC

InChI

InChI=1S/C19H23BrFNO2/c1-4-13(2)22-11-15-9-17(20)19(18(10-15)23-3)24-12-14-5-7-16(21)8-6-14/h5-10,13,22H,4,11-12H2,1-3H3/p+1/t13-/m0/s1