[3-(5-bromanyl-2-oxidanyl-phenyl)-3-phenyl-propyl]-methyl-di(propan-2-yl)azanium

Systemtic Name: [3-(5-bromanyl-2-oxidanyl-phenyl)-3-phenyl-propyl]-methyl-di(propan-2-yl)azanium Openeye Name: [3-(5-bromo-2-hydroxy-phenyl)-3-phenyl-propyl]-diisopropyl-methyl-ammonium CAS Name: [3-(5-bromo-2-hydroxyphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)ammonium IUPAC Name: [3-(5-bromo-2-hydroxyphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)azanium Traditional Name: [3-(5-bromo-2-hydroxy-phenyl)-3-phenyl-propyl]-diisopropyl-methyl-ammonium Formula: C22H31BrNO+ MolecularWeight: 405.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)O)C(C)C

Isomeric SMILES

CC(C)[N+](C)(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)O)C(C)C

InChI

InChI=1S/C22H30BrNO/c1-16(2)24(5,17(3)4)14-13-20(18-9-7-6-8-10-18)21-15-19(23)11-12-22(21)25/h6-12,15-17,20H,13-14H2,1-5H3/p+1