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

Systemtic Name: (2S)-1-(4-methylpiperidin-1-ium-1-yl)-3-(3-methyl-4-propan-2-yl-phenoxy)propan-2-ol Openeye Name: (2S)-1-(4-isopropyl-3-methyl-phenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-methyl-1-piperidin-1-iumyl)-3-(3-methyl-4-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-methylpiperidin-1-ium-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-isopropyl-3-methyl-phenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Formula: C19H32NO2+ MolecularWeight: 306.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(COC2=CC(=C(C=C2)C(C)C)C)O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](COC2=CC(=C(C=C2)C(C)C)C)O

InChI

InChI=1S/C19H31NO2/c1-14(2)19-6-5-18(11-16(19)4)22-13-17(21)12-20-9-7-15(3)8-10-20/h5-6,11,14-15,17,21H,7-10,12-13H2,1-4H3/p+1/t17-/m0/s1