(1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)-1-(4-methylphenyl)-2-phenyl-propan-1-ol

Systemtic Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)-1-(4-methylphenyl)-2-phenyl-propan-1-ol Openeye Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)-2-phenyl-1-(p-tolyl)propan-1-ol CAS Name: (1R,2S)-3-(1-azepan-1-iumyl)-1-(4-bromophenyl)-1-(4-methylphenyl)-2-phenyl-1-propanol IUPAC Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)-1-(4-methylphenyl)-2-phenylpropan-1-ol Traditional Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)-2-phenyl-1-(p-tolyl)propan-1-ol Formula: C28H33BrNO+ MolecularWeight: 479.47172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)(C(C[NH+]3CCCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@](C2=CC=C(C=C2)Br)([C@H](C[NH+]3CCCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H32BrNO/c1-22-11-13-24(14-12-22)28(31,25-15-17-26(29)18-16-25)27(23-9-5-4-6-10-23)21-30-19-7-2-3-8-20-30/h4-6,9-18,27,31H,2-3,7-8,19-21H2,1H3/p+1/t27-,28-/m1/s1