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

Systemtic Name: (2S)-1-(4-tert-butyl-2-methyl-phenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-tert-butyl-2-methyl-phenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-tert-butyl-2-methylphenoxy)-3-(4-methyl-1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-tert-butyl-2-methylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-tert-butyl-2-methyl-phenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Formula: C20H34NO2+ MolecularWeight: 320.48946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO2/c1-15-8-10-21(11-9-15)13-18(22)14-23-19-7-6-17(12-16(19)2)20(3,4)5/h6-7,12,15,18,22H,8-11,13-14H2,1-5H3/p+1/t18-/m0/s1