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

Systemtic Name: (2S)-1-(3-methyl-4-propan-2-yl-phenoxy)-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-(4-isopropyl-3-methyl-phenoxy)-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-(3-methyl-4-propan-2-ylphenoxy)-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(3-methyl-4-propan-2-ylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-(4-isopropyl-3-methyl-phenoxy)-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C17H28NO3+ MolecularWeight: 294.40912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO3/c1-13(2)17-5-4-16(10-14(17)3)21-12-15(19)11-18-6-8-20-9-7-18/h4-5,10,13,15,19H,6-9,11-12H2,1-3H3/p+1/t15-/m0/s1