(2S)-1-(5-methyl-2-propan-2-yl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(5-methyl-2-propan-2-yl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(2-isopropyl-5-methyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(5-methyl-2-propan-2-ylphenoxy)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(5-methyl-2-propan-2-ylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(2-isopropyl-5-methyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC[C@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C18H29NO2/c1-14(2)17-8-7-15(3)11-18(17)21-13-16(20)12-19-9-5-4-6-10-19/h7-8,11,14,16,20H,4-6,9-10,12-13H2,1-3H3/p+1/t16-/m0/s1