(2S)-1-(4-methyl-2-prop-2-enyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(4-methyl-2-prop-2-enyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(2-allyl-4-methyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(4-methyl-2-prop-2-enylphenoxy)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-methyl-2-prop-2-enylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(2-allyl-4-methyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO2/c1-3-7-16-12-15(2)8-9-18(16)21-14-17(20)13-19-10-5-4-6-11-19/h3,8-9,12,17,20H,1,4-7,10-11,13-14H2,2H3/p+1/t17-/m0/s1