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

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(3-methyl-4-propan-2-yl-phenoxy)propan-2-ol Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(4-isopropyl-3-methyl-phenoxy)propan-2-ol CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-3-(3-methyl-4-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(4-isopropyl-3-methyl-phenoxy)propan-2-ol Formula: C19H33N2O2+ MolecularWeight: 321.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O2/c1-5-20-8-10-21(11-9-20)13-17(22)14-23-18-6-7-19(15(2)3)16(4)12-18/h6-7,12,15,17,22H,5,8-11,13-14H2,1-4H3/p+1/t17-/m0/s1