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

Systemtic Name: (1R,2S)-1-(4-bromophenyl)-1-cyclohexyl-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1R,2S)-1-(4-bromophenyl)-1-cyclohexyl-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1R,2S)-1-(4-bromophenyl)-1-cyclohexyl-2-phenyl-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1R,2S)-1-(4-bromophenyl)-1-cyclohexyl-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1R,2S)-1-(4-bromophenyl)-1-cyclohexyl-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C26H35BrNO+ MolecularWeight: 457.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=C(C=C2)Br)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

C1CCC(CC1)[C@](C2=CC=C(C=C2)Br)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H34BrNO/c27-24-16-14-23(15-17-24)26(29,22-12-6-2-7-13-22)25(21-10-4-1-5-11-21)20-28-18-8-3-9-19-28/h1,4-5,10-11,14-17,22,25,29H,2-3,6-9,12-13,18-20H2/p+1/t25-,26+/m1/s1