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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)C[C@H](COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C25H37NO2/c1-18-3-2-8-26(15-18)16-23(27)17-28-24-6-4-22(5-7-24)25-12-19-9-20(13-25)11-21(10-19)14-25/h4-7,18-21,23,27H,2-3,8-17H2,1H3/p+1/t18-,19?,20?,21?,23+,25?/m0/s1