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

Systemtic Name: [5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]azanium Openeye Name: [5-bromo-2-(p-tolylmethoxy)phenyl]methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]ammonium IUPAC Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]azanium Traditional Name: [5-bromo-2-(4-methylbenzyl)oxy-benzyl]-[(1S)-1-methylpropyl]ammonium Formula: C19H25BrNO+ MolecularWeight: 363.3119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrNO/c1-4-15(3)21-12-17-11-18(20)9-10-19(17)22-13-16-7-5-14(2)6-8-16/h5-11,15,21H,4,12-13H2,1-3H3/p+1/t15-/m0/s1