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

Systemtic Name: (2S)-1-[4-(1-adamantyl)phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[4-(1-adamantyl)phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[4-(1-adamantyl)phenoxy]-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[4-(1-adamantyl)phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-[4-(1-adamantyl)phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C24H37N2O2+ MolecularWeight: 385.56278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O2/c1-25-6-8-26(9-7-25)16-22(27)17-28-23-4-2-21(3-5-23)24-13-18-10-19(14-24)12-20(11-18)15-24/h2-5,18-20,22,27H,6-17H2,1H3/p+1/t18?,19?,20?,22-,24?/m0/s1