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

Systemtic Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-[(2S)-2-methyl-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol Formula: C25H38NO2+ MolecularWeight: 384.57472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO2/c1-18-4-2-3-9-26(18)16-23(27)17-28-24-7-5-22(6-8-24)25-13-19-10-20(14-25)12-21(11-19)15-25/h5-8,18-21,23,27H,2-4,9-17H2,1H3/p+1/t18-,19?,20?,21?,23+,25?/m0/s1