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

Systemtic Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C29H39N2O2+ MolecularWeight: 447.63216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O)C6=CC=CC=C6

InChI

InChI=1S/C29H38N2O2/c32-27(20-30-10-12-31(13-11-30)26-4-2-1-3-5-26)21-33-28-8-6-25(7-9-28)29-17-22-14-23(18-29)16-24(15-22)19-29/h1-9,22-24,27,32H,10-21H2/p+1/t22?,23?,24?,27-,29?/m1/s1