(2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-2-phenyl-hexan-3-ol

Systemtic Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-2-phenyl-hexan-3-ol Openeye Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-2-phenyl-hexan-3-ol CAS Name: (2S,3S)-1-(1-azepan-1-iumyl)-3-(4-bromophenyl)-2-phenyl-3-hexanol IUPAC Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-2-phenylhexan-3-ol Traditional Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-2-phenyl-hexan-3-ol Formula: C24H33BrNO+ MolecularWeight: 431.42892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)Br)(C(C[NH+]2CCCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCC[C@@](C1=CC=C(C=C1)Br)([C@H](C[NH+]2CCCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C24H32BrNO/c1-2-16-24(27,21-12-14-22(25)15-13-21)23(20-10-6-5-7-11-20)19-26-17-8-3-4-9-18-26/h5-7,10-15,23,27H,2-4,8-9,16-19H2,1H3/p+1/t23-,24-/m1/s1