(2R)-1-(1-adamantyloxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(1-adamantyloxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(1-adamantyloxy)-3-(4-benzylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2R)-1-(1-adamantyloxy)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2R)-1-(1-adamantyloxy)-3-(4-benzylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-(1-adamantyloxy)-3-(4-benzylpiperazin-4-ium-1-yl)propan-2-ol Formula: C24H37N2O2+ MolecularWeight: 385.56278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(COC34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@H](COC34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C24H36N2O2/c27-23(18-28-24-13-20-10-21(14-24)12-22(11-20)15-24)17-26-8-6-25(7-9-26)16-19-4-2-1-3-5-19/h1-5,20-23,27H,6-18H2/p+1/t20?,21?,22?,23-,24?/m1/s1