(2R)-1-(1-adamantylmethoxy)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(1-adamantylmethoxy)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(1-adamantylmethoxy)-3-(4-benzylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-(1-adamantylmethoxy)-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-(1-adamantylmethoxy)-3-(4-benzylpiperidin-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-(1-adamantylmethoxy)-3-(4-benzylpiperidin-1-ium-1-yl)propan-2-ol Formula: C26H40NO2+ MolecularWeight: 398.6013

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(COCC34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)C[C@H](COCC34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C26H39NO2/c28-25(17-27-8-6-21(7-9-27)10-20-4-2-1-3-5-20)18-29-19-26-14-22-11-23(15-26)13-24(12-22)16-26/h1-5,21-25,28H,6-19H2/p+1/t22?,23?,24?,25-,26?/m1/s1