(2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-ethyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Formula: C25H39N2O2+ MolecularWeight: 399.58936

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@H](COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C25H38N2O2/c1-2-26-7-9-27(10-8-26)17-23(28)18-29-24-5-3-22(4-6-24)25-14-19-11-20(15-25)13-21(12-19)16-25/h3-6,19-21,23,28H,2,7-18H2,1H3/p+1/t19?,20?,21?,23-,25?/m1/s1