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

Systemtic Name: (2S)-1-(4-methyl-2-prop-2-enyl-phenoxy)-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-(2-allyl-4-methyl-phenoxy)-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-(4-methyl-2-prop-2-enylphenoxy)-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-methyl-2-prop-2-enylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-(2-allyl-4-methyl-phenoxy)-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(C[NH+]2CCOCC2)O)CC=C

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@H](C[NH+]2CCOCC2)O)CC=C

InChI

InChI=1S/C17H25NO3/c1-3-4-15-11-14(2)5-6-17(15)21-13-16(19)12-18-7-9-20-10-8-18/h3,5-6,11,16,19H,1,4,7-10,12-13H2,2H3/p+1/t16-/m0/s1