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

Systemtic Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)-1-cyclohexyl-2-phenyl-propan-1-ol Openeye Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)-1-cyclohexyl-2-phenyl-propan-1-ol CAS Name: (1R,2S)-3-(1-azepan-1-iumyl)-1-(4-bromophenyl)-1-cyclohexyl-2-phenyl-1-propanol IUPAC Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)-1-cyclohexyl-2-phenylpropan-1-ol Traditional Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)-1-cyclohexyl-2-phenyl-propan-1-ol Formula: C27H37BrNO+ MolecularWeight: 471.49278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(C2=CC=CC=C2)C(C3CCCCC3)(C4=CC=C(C=C4)Br)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@H](C2=CC=CC=C2)[C@](C3CCCCC3)(C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C27H36BrNO/c28-25-17-15-24(16-18-25)27(30,23-13-7-4-8-14-23)26(22-11-5-3-6-12-22)21-29-19-9-1-2-10-20-29/h3,5-6,11-12,15-18,23,26,30H,1-2,4,7-10,13-14,19-21H2/p+1/t26-,27+/m1/s1