(2S)-1-(4-methylpiperidin-1-ium-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(4-methylpiperidin-1-ium-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-methylpiperidin-1-ium-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol CAS Name: (2S)-1-(4-methyl-1-piperidin-1-iumyl)-3-(2,3,6-trimethylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-methylpiperidin-1-ium-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-methylpiperidin-1-ium-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(COC2=C(C=CC(=C2C)C)C)O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](COC2=C(C=CC(=C2C)C)C)O

InChI

InChI=1S/C18H29NO2/c1-13-7-9-19(10-8-13)11-17(20)12-21-18-15(3)6-5-14(2)16(18)4/h5-6,13,17,20H,7-12H2,1-4H3/p+1/t17-/m0/s1