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

Systemtic Name: (5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-[(2S)-butan-2-yl]azanium Openeye Name: (2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-[(2S)-butan-2-yl]ammonium IUPAC Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-[(2S)-butan-2-yl]azanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C19H25BrNO2+ MolecularWeight: 379.3113

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)Br

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)Br

InChI

InChI=1S/C19H24BrNO2/c1-4-14(2)21-12-16-10-17(20)11-18(22-3)19(16)23-13-15-8-6-5-7-9-15/h5-11,14,21H,4,12-13H2,1-3H3/p+1/t14-/m0/s1