(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[2-methoxy-4-(morpholinomethyl)phenoxy]propan-2-ol CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-3-[2-methoxy-4-(4-morpholinylmethyl)phenoxy]-2-propanol IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[2-methoxy-4-(morpholinomethyl)phenoxy]propan-2-ol Formula: C21H36N3O4+ MolecularWeight: 394.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=C(C=C(C=C2)CN3CCOCC3)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2)CN3CCOCC3)OC)O

InChI

InChI=1S/C21H35N3O4/c1-3-22-6-8-23(9-7-22)16-19(25)17-28-20-5-4-18(14-21(20)26-2)15-24-10-12-27-13-11-24/h4-5,14,19,25H,3,6-13,15-17H2,1-2H3/p+1/t19-/m0/s1