(2S)-1-(1-adamantylmethoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(1-adamantylmethoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(1-adamantylmethoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(1-adamantylmethoxy)-3-(4-ethyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(1-adamantylmethoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(1-adamantylmethoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Formula: C20H37N2O2+ MolecularWeight: 337.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COCC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C20H36N2O2/c1-2-21-3-5-22(6-4-21)13-19(23)14-24-15-20-10-16-7-17(11-20)9-18(8-16)12-20/h16-19,23H,2-15H2,1H3/p+1/t16?,17?,18?,19-,20?/m0/s1