[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-dicyclohexyl-azanium

Systemtic Name: [(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-dicyclohexyl-azanium Openeye Name: [(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-dicyclohexyl-ammonium CAS Name: [(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-dicyclohexylammonium IUPAC Name: [(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-dicyclohexylazanium Traditional Name: [(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-dicyclohexyl-ammonium Formula: C21H33BrNO2+ MolecularWeight: 411.39622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC(COC2=CC=C(C=C2)Br)O)C3CCCCC3

Isomeric SMILES

C1CCC(CC1)[NH+](C[C@@H](COC2=CC=C(C=C2)Br)O)C3CCCCC3

InChI

InChI=1S/C21H32BrNO2/c22-17-11-13-21(14-12-17)25-16-20(24)15-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h11-14,18-20,24H,1-10,15-16H2/p+1/t20-/m0/s1